1-tert-butyl-3-methylcyclopentane;(2R)-2,3-dimethylbutan-1-amine;(2S)-2,3-dimethylbutan-1-amine;2,3-dimethylbutane;(2R)-2,4-dimethylpentan-1-ol;(2S)-2,4-dimethylpentan-1-ol;2-methylbutane;6-methylheptanenitrile;5-methylhexanenitrile;4-methylpent-1-yne;2-methylpropane;2-methylpropylcyclopropane;4-(2-methylpropyl)piperidine;2-(2-methylpropyl)pyrrolidine;3-propan-2-ylazetidine;propan-2-ylcycloheptane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;(3S)-3-propan-2-yloxolane;(3R)-3-propan-2-yloxolane;(3R)-3-propan-2-ylpyrrolidine;(3S)-3-propan-2-ylpyrrolidine;2,2,3-trimethylbutane

C170H359N9O4 — CID 157496967

IUPAC1-tert-butyl-3-methylcyclopentane;(2R)-2,3-dimethylbutan-1-amine;(2S)-2,3-dimethylbutan-1-amine;2,3-dimethylbutane;(2R)-2,4-dimethylpentan-1-ol;(2S)-2,4-dimethylpentan-1-ol;2-methylbutane;6-methylheptanenitrile;5-methylhexanenitrile;4-methylpent-1-yne;2-methylpropane;2-methylpropylcyclopropane;4-(2-methylpropyl)piperidine;2-(2-methylpropyl)pyrrolidine;3-propan-2-ylazetidine;propan-2-ylcycloheptane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;(3S)-3-propan-2-yloxolane;(3R)-3-propan-2-yloxolane;(3R)-3-propan-2-ylpyrrolidine;(3S)-3-propan-2-ylpyrrolidine;2,2,3-trimethylbutane
SMILESC#CCC(C)C.CC(C)C.CC(C)C(C)(C)C.CC(C)C(C)C.CC(C)C1CC1.CC(C)C1CCCC1.CC(C)C1CCCCC1.CC(C)C1CCCCCC1.CC(C)C1CNC1.CC(C)CC1CC1.CC(C)CC1CCCN1.CC(C)CC1CCNCC1.CC(C)CCCC#N.CC(C)CCCCC#N.CC(C)C[C@@H](C)CO.CC(C)C[C@H](C)CO.CC(C)[C@@H](C)CN.CC(C)[C@@H]1CCNC1.CC(C)[C@@H]1CCOC1.CC(C)[C@H](C)CN.CC(C)[C@H]1CCNC1.CC(C)[C@H]1CCOC1.CC1CCC(C(C)(C)C)C1.CCC(C)C
InChIInChI=1S/2C10H20.C9H19N.C9H18.C8H17N.C8H15N.C8H16.2C7H15N.C7H13N.2C7H14O.2C7H16O.C7H14.C7H16.C6H13N.2C6H15N.C6H12.C6H14.C6H10.C5H12.C4H10/c1-8-5-6-9(7-8)10(2,3)4;1-9(2)10-7-5-3-4-6-8-10;1-8(2)7-9-3-5-10-6-4-9;1-8(2)9-6-4-3-5-7-9;1-7(2)6-8-4-3-5-9-8;1-8(2)6-4-3-5-7-9;1-7(2)8-5-3-4-6-8;2*1-6(2)7-3-4-8-5-7;1-7(2)5-3-4-6-8;2*1-6(2)7-3-4-8-5-7;2*1-6(2)4-7(3)5-8;1-6(2)5-7-3-4-7;1-6(2)7(3,4)5;1-5(2)6-3-7-4-6;2*1-5(2)6(3)4-7;1-5(2)6-3-4-6;1-5(2)6(3)4;1-4-5-6(2)3;1-4-5(2)3;1-4(2)3/h8-9H,5-7H2,1-4H3;9-10H,3-8H2,1-2H3;8-10H,3-7H2,1-2H3;8-9H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;8H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;2*6-8H,3-5H2,1-2H3;7H,3-5H2,1-2H3;2*6-7H,3-5H2,1-2H3;2*6-8H,4-5H2,1-3H3;6-7H,3-5H2,1-2H3;6H,1-5H3;5-7H,3-4H2,1-2H3;2*5-6H,4,7H2,1-3H3;5-6H,3-4H2,1-2H3;5-6H,1-4H3;1,6H,5H2,2-3H3;5H,4H2,1-3H3;4H,1-3H3/t;;;;;;;2*7-;;4*7-;;;;2*6-;;;;;/m.......10.1010...10...../s1
InChIKeyBXYIPCJVPOIYPS-AZCWEIHUSA-N
MW2593.80 g/mol
LogP49.40
Rot. Bonds35

About 1-tert-butyl-3-methylcyclopentane;(2R)-2,3-dimethylbutan-1-amine;(2S)-2,3-dimethylbutan-1-amine;2,3-dimethylbutane;(2R)-2,4-dimethylpentan-1-ol;(2S)-2,4-dimethylpentan-1-ol;2-methylbutane;6-methylheptanenitrile;5-methylhexanenitrile;4-methylpent-1-yne;2-methylpropane;2-methylpropylcyclopropane;4-(2-methylpropyl)piperidine;2-(2-methylpropyl)pyrrolidine;3-propan-2-ylazetidine;propan-2-ylcycloheptane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;(3S)-3-propan-2-yloxolane;(3R)-3-propan-2-yloxolane;(3R)-3-propan-2-ylpyrrolidine;(3S)-3-propan-2-ylpyrrolidine;2,2,3-trimethylbutane

1-tert-butyl-3-methylcyclopentane;(2R)-2,3-dimethylbutan-1-amine;(2S)-2,3-dimethylbutan-1-amine;2,3-dimethylbutane;(2R)-2,4-dimethylpentan-1-ol;(2S)-2,4-dimethylpentan-1-ol;2-methylbutane;6-methylheptanenitrile;5-methylhexanenitrile;4-methylpent-1-yne;2-methylpropane;2-methylpropylcyclopropane;4-(2-methylpropyl)piperidine;2-(2-methylpropyl)pyrrolidine;3-propan-2-ylazetidine;propan-2-ylcycloheptane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;(3S)-3-propan-2-yloxolane;(3R)-3-propan-2-yloxolane;(3R)-3-propan-2-ylpyrrolidine;(3S)-3-propan-2-ylpyrrolidine;2,2,3-trimethylbutane (PubChem CID 157496967) has the molecular formula C170H359N9O4 and a molecular weight of 2593.80 g/mol. Its IUPAC name is 1-tert-butyl-3-methylcyclopentane;(2R)-2,3-dimethylbutan-1-amine;(2S)-2,3-dimethylbutan-1-amine;2,3-dimethylbutane;(2R)-2,4-dimethylpentan-1-ol;(2S)-2,4-dimethylpentan-1-ol;2-methylbutane;6-methylheptanenitrile;5-methylhexanenitrile;4-methylpent-1-yne;2-methylpropane;2-methylpropylcyclopropane;4-(2-methylpropyl)piperidine;2-(2-methylpropyl)pyrrolidine;3-propan-2-ylazetidine;propan-2-ylcycloheptane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;(3S)-3-propan-2-yloxolane;(3R)-3-propan-2-yloxolane;(3R)-3-propan-2-ylpyrrolidine;(3S)-3-propan-2-ylpyrrolidine;2,2,3-trimethylbutane.

Molecular Properties

Compound Name1-tert-butyl-3-methylcyclopentane;(2R)-2,3-dimethylbutan-1-amine;(2S)-2,3-dimethylbutan-1-amine;2,3-dimethylbutane;(2R)-2,4-dimethylpentan-1-ol;(2S)-2,4-dimethylpentan-1-ol;2-methylbutane;6-methylheptanenitrile;5-methylhexanenitrile;4-methylpent-1-yne;2-methylpropane;2-methylpropylcyclopropane;4-(2-methylpropyl)piperidine;2-(2-methylpropyl)pyrrolidine;3-propan-2-ylazetidine;propan-2-ylcycloheptane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;(3S)-3-propan-2-yloxolane;(3R)-3-propan-2-yloxolane;(3R)-3-propan-2-ylpyrrolidine;(3S)-3-propan-2-ylpyrrolidine;2,2,3-trimethylbutane
PubChem CID157496967
Molecular FormulaC170H359N9O4
Molecular Weight2593.80 g/mol
Exact Mass2591.82
IUPAC Name1-tert-butyl-3-methylcyclopentane;(2R)-2,3-dimethylbutan-1-amine;(2S)-2,3-dimethylbutan-1-amine;2,3-dimethylbutane;(2R)-2,4-dimethylpentan-1-ol;(2S)-2,4-dimethylpentan-1-ol;2-methylbutane;6-methylheptanenitrile;5-methylhexanenitrile;4-methylpent-1-yne;2-methylpropane;2-methylpropylcyclopropane;4-(2-methylpropyl)piperidine;2-(2-methylpropyl)pyrrolidine;3-propan-2-ylazetidine;propan-2-ylcycloheptane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;(3S)-3-propan-2-yloxolane;(3R)-3-propan-2-yloxolane;(3R)-3-propan-2-ylpyrrolidine;(3S)-3-propan-2-ylpyrrolidine;2,2,3-trimethylbutane
SMILESC#CCC(C)C.CC(C)C.CC(C)C(C)(C)C.CC(C)C(C)C.CC(C)C1CC1.CC(C)C1CCCC1.CC(C)C1CCCCC1.CC(C)C1CCCCCC1.CC(C)C1CNC1.CC(C)CC1CC1.CC(C)CC1CCCN1.CC(C)CC1CCNCC1.CC(C)CCCC#N.CC(C)CCCCC#N.CC(C)C[C@@H](C)CO.CC(C)C[C@H](C)CO.CC(C)[C@@H](C)CN.CC(C)[C@@H]1CCNC1.CC(C)[C@@H]1CCOC1.CC(C)[C@H](C)CN.CC(C)[C@H]1CCNC1.CC(C)[C@H]1CCOC1.CC1CCC(C(C)(C)C)C1.CCC(C)C
InChIInChI=1S/2C10H20.C9H19N.C9H18.C8H17N.C8H15N.C8H16.2C7H15N.C7H13N.2C7H14O.2C7H16O.C7H14.C7H16.C6H13N.2C6H15N.C6H12.C6H14.C6H10.C5H12.C4H10/c1-8-5-6-9(7-8)10(2,3)4;1-9(2)10-7-5-3-4-6-8-10;1-8(2)7-9-3-5-10-6-4-9;1-8(2)9-6-4-3-5-7-9;1-7(2)6-8-4-3-5-9-8;1-8(2)6-4-3-5-7-9;1-7(2)8-5-3-4-6-8;2*1-6(2)7-3-4-8-5-7;1-7(2)5-3-4-6-8;2*1-6(2)7-3-4-8-5-7;2*1-6(2)4-7(3)5-8;1-6(2)5-7-3-4-7;1-6(2)7(3,4)5;1-5(2)6-3-7-4-6;2*1-5(2)6(3)4-7;1-5(2)6-3-4-6;1-5(2)6(3)4;1-4-5-6(2)3;1-4-5(2)3;1-4(2)3/h8-9H,5-7H2,1-4H3;9-10H,3-8H2,1-2H3;8-10H,3-7H2,1-2H3;8-9H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;8H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;2*6-8H,3-5H2,1-2H3;7H,3-5H2,1-2H3;2*6-7H,3-5H2,1-2H3;2*6-8H,4-5H2,1-3H3;6-7H,3-5H2,1-2H3;6H,1-5H3;5-7H,3-4H2,1-2H3;2*5-6H,4,7H2,1-3H3;5-6H,3-4H2,1-2H3;5-6H,1-4H3;1,6H,5H2,2-3H3;5H,4H2,1-3H3;4H,1-3H3/t;;;;;;;2*7-;;4*7-;;;;2*6-;;;;;/m.......10.1010...10...../s1
InChIKeyBXYIPCJVPOIYPS-AZCWEIHUSA-N
XLogP49.40
TPSA218.69 Ų
H-Bond Donors9
H-Bond Acceptors13
Rotatable Bonds35
Heavy Atoms183
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002593.80
LogP ≤ 549.40
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-tert-butyl-3-methylcyclopentane;(2R)-2,3-dimethylbutan-1-amine;(2S)-2,3-dimethylbutan-1-amine;2,3-dimethylbutane;(2R)-2,4-dimethylpentan-1-ol;(2S)-2,4-dimethylpentan-1-ol;2-methylbutane;6-methylheptanenitrile;5-methylhexanenitrile;4-methylpent-1-yne;2-methylpropane;2-methylpropylcyclopropane;4-(2-methylpropyl)piperidine;2-(2-methylpropyl)pyrrolidine;3-propan-2-ylazetidine;propan-2-ylcycloheptane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;(3S)-3-propan-2-yloxolane;(3R)-3-propan-2-yloxolane;(3R)-3-propan-2-ylpyrrolidine;(3S)-3-propan-2-ylpyrrolidine;2,2,3-trimethylbutane with MolForge

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Related Compounds

(2R)-2,3-dimethylbutan-1-amine;2,3-dimethylbutan-1-amine;2,3-dimethylbutane;(2S)-2,3-dimethylbutan-1-ol;(2R)-2,4-dimethylpentan-1-ol;2,4-dimethylpentan-1-ol;2-methylbutane;2-methylpropane;2-(2-methylpropyl)pyrrolidine;propan-2-ylcycloheptane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;(1-propan-2-ylcyclopropyl)methanamine;(1-propan-2-ylcyclopropyl)methanol;4-propan-2-yloxane;3-propan-2-yloxolane;(3R)-3-propan-2-yloxolane;2-propan-2-ylpropane-1,3-diol;2,2,3-trimethylbutan-1-amine;2,2,3-trimethylbutane;2,2,3-trimethylbutan-1-ol
CID 161310960
methane;2-methylhexane;1-methyl-4-propan-2-ylcyclohexane;2-methylpropylcyclohexane;2,3,5-trimethylhexane
CID 159178653
2,3-dimethylpentane;methane;2-methylpropylcyclobutane;2-methylpropylcyclopropane;propan-2-ylcyclohexane;2,2,3-trimethylbutane
CID 160935897
1-chloro-3-propan-2-ylcyclobutane;2,3-dimethylbutane;2,4-dimethylpentane;2-methylbutane;3-methylbutan-1-ol;2-methylhexane;3-methyl-1-methylsulfonylbutane;2-methylpentane;1-methyl-4-propan-2-ylpiperidine;1-methylsulfonyl-4-propan-2-ylpiperidine;propan-2-ylcyclobutane;3-propan-2-ylcyclobutan-1-ol;bis(propan-2-ylcyclohexane);propan-2-ylcyclopentane;propan-2-ylcyclopropane;4-propan-2-yloxane;3-propan-2-yloxetane;4-propan-2-ylpiperidine;1-(4-propan-2-ylpiperidin-1-yl)ethanone;N,N,3-trimethylbutan-1-amine;2,2,3-trimethylbutane;2,2,4-trimethylpentane;N,N,2-trimethylpropan-1-amine
CID 167613693
methane;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine;propan-2-ylcyclohexane;bis(propan-2-ylcyclopentane);4-propan-2-yloxane;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine
CID 159345239
(3S)-1-ethyl-3-(2-methylpropyl)piperidine;1-fluoro-1-(2-methylpropyl)cyclohexane;3-(3-methylbutan-2-yl)pyrrolidine;(2R)-2-(3-methylbutyl)pyrrolidine;1-methyl-3-(2-methylpropyl)piperidine;(3R)-1-methyl-3-(2-methylpropyl)piperidine;(3S)-1-methyl-3-(2-methylpropyl)piperidine;1-methyl-3-(2-methylpropyl)pyrrolidine;(3R)-1-methyl-3-(2-methylpropyl)pyrrolidine;(3S)-1-methyl-3-(2-methylpropyl)pyrrolidine;2-methylpropylcyclobutane;tris(2-methylpropylcyclohexane);1-(2-methylpropyl)cyclohexan-1-ol;tris(2-methylpropylcyclopentane);2-(2-methylpropyl)oxane;4-(2-methylpropyl)oxane;4-(2-methylpropyl)piperidine;(3S)-3-(2-methylpropyl)-1-propylpiperidine
CID 162088911
ethane;3-methyl-4-propan-2-yloxane;3-propan-2-ylpiperidine;3-propan-2-ylpyrrolidine
CID 160735575
(4-tert-butylcyclohexyl)-(oxolan-3-yl)methanol
CID 65400319
3-hydroxy-3-(oxan-3-yl)propanenitrile
CID 79119299
2,3-dimethylbutane;2,3-dimethylbutanenitrile;2,3-dimethylbutan-2-ylcyclopropane;2,4-dimethylpentan-2-ol;(3-propan-2-ylcyclobutyl)methanol;4-propan-2-yloxane
CID 159159282
2-cyclopropyl-1,1-dimethylcyclopropane;3,3-difluoro-2-methylpentane;2,3-dimethylbutane;4,4-dimethylheptane;2,5-dimethylhexane;3,3-dimethylhexane;2,2-dimethylpentane;2,3-dimethylpentane;2,4-dimethylpentane;2-ethenyl-1,1-dimethylcyclopropane;2-ethyl-1,1-dimethylcyclopropane;1-methoxy-3-methylbutane;1-methoxy-2-methylpropane;2-methylbutane;2-methylheptane;6-methylhept-1-ene;bis(2-methylhexane);5-methylhex-1-ene;bis(2-methylpentane);4-methylpent-1-ene;4-methylpent-1-yne;2-methylpropane;2-methylpropylcyclopropane;1,1,1-trifluoro-2-methylpropane;1,1,2-trimethylcyclopropane
CID 158650941
2,4-dimethylhexane;ethane;1-ethyl-1-(2-methylpropyl)cyclopropane;methane;1-methyl-1-(3-methylbutyl)cyclopropane;2-methylpentane;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;6-propan-2-yl-2-oxaspiro[3.3]heptane;3-propan-2-yloxetane;3-propan-2-yloxolane;2,2,3-trimethylbutane;2,2,5-trimethylhexane;2,4,4-trimethylhexane
CID 162120873

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-methylcyclopentane;(2R)-2,3-dimethylbutan-1-amine;(2S)-2,3-dimethylbutan-1-amine;2,3-dimethylbutane;(2R)-2,4-dimethylpentan-1-ol;(2S)-2,4-dimethylpentan-1-ol;2-methylbutane;6-methylheptanenitrile;5-methylhexanenitrile;4-methylpent-1-yne;2-methylpropane;2-methylpropylcyclopropane;4-(2-methylpropyl)piperidine;2-(2-methylpropyl)pyrrolidine;3-propan-2-ylazetidine;propan-2-ylcycloheptane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;(3S)-3-propan-2-yloxolane;(3R)-3-propan-2-yloxolane;(3R)-3-propan-2-ylpyrrolidine;(3S)-3-propan-2-ylpyrrolidine;2,2,3-trimethylbutane?
The IUPAC name of 1-tert-butyl-3-methylcyclopentane;(2R)-2,3-dimethylbutan-1-amine;(2S)-2,3-dimethylbutan-1-amine;2,3-dimethylbutane;(2R)-2,4-dimethylpentan-1-ol;(2S)-2,4-dimethylpentan-1-ol;2-methylbutane;6-methylheptanenitrile;5-methylhexanenitrile;4-methylpent-1-yne;2-methylpropane;2-methylpropylcyclopropane;4-(2-methylpropyl)piperidine;2-(2-methylpropyl)pyrrolidine;3-propan-2-ylazetidine;propan-2-ylcycloheptane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;(3S)-3-propan-2-yloxolane;(3R)-3-propan-2-yloxolane;(3R)-3-propan-2-ylpyrrolidine;(3S)-3-propan-2-ylpyrrolidine;2,2,3-trimethylbutane (CID 157496967) is 1-tert-butyl-3-methylcyclopentane;(2R)-2,3-dimethylbutan-1-amine;(2S)-2,3-dimethylbutan-1-amine;2,3-dimethylbutane;(2R)-2,4-dimethylpentan-1-ol;(2S)-2,4-dimethylpentan-1-ol;2-methylbutane;6-methylheptanenitrile;5-methylhexanenitrile;4-methylpent-1-yne;2-methylpropane;2-methylpropylcyclopropane;4-(2-methylpropyl)piperidine;2-(2-methylpropyl)pyrrolidine;3-propan-2-ylazetidine;propan-2-ylcycloheptane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;(3S)-3-propan-2-yloxolane;(3R)-3-propan-2-yloxolane;(3R)-3-propan-2-ylpyrrolidine;(3S)-3-propan-2-ylpyrrolidine;2,2,3-trimethylbutane.
What is the SMILES notation for 1-tert-butyl-3-methylcyclopentane;(2R)-2,3-dimethylbutan-1-amine;(2S)-2,3-dimethylbutan-1-amine;2,3-dimethylbutane;(2R)-2,4-dimethylpentan-1-ol;(2S)-2,4-dimethylpentan-1-ol;2-methylbutane;6-methylheptanenitrile;5-methylhexanenitrile;4-methylpent-1-yne;2-methylpropane;2-methylpropylcyclopropane;4-(2-methylpropyl)piperidine;2-(2-methylpropyl)pyrrolidine;3-propan-2-ylazetidine;propan-2-ylcycloheptane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;(3S)-3-propan-2-yloxolane;(3R)-3-propan-2-yloxolane;(3R)-3-propan-2-ylpyrrolidine;(3S)-3-propan-2-ylpyrrolidine;2,2,3-trimethylbutane?
The canonical SMILES for 1-tert-butyl-3-methylcyclopentane;(2R)-2,3-dimethylbutan-1-amine;(2S)-2,3-dimethylbutan-1-amine;2,3-dimethylbutane;(2R)-2,4-dimethylpentan-1-ol;(2S)-2,4-dimethylpentan-1-ol;2-methylbutane;6-methylheptanenitrile;5-methylhexanenitrile;4-methylpent-1-yne;2-methylpropane;2-methylpropylcyclopropane;4-(2-methylpropyl)piperidine;2-(2-methylpropyl)pyrrolidine;3-propan-2-ylazetidine;propan-2-ylcycloheptane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;(3S)-3-propan-2-yloxolane;(3R)-3-propan-2-yloxolane;(3R)-3-propan-2-ylpyrrolidine;(3S)-3-propan-2-ylpyrrolidine;2,2,3-trimethylbutane is C#CCC(C)C.CC(C)C.CC(C)C(C)(C)C.CC(C)C(C)C.CC(C)C1CC1.CC(C)C1CCCC1.CC(C)C1CCCCC1.CC(C)C1CCCCCC1.CC(C)C1CNC1.CC(C)CC1CC1.CC(C)CC1CCCN1.CC(C)CC1CCNCC1.CC(C)CCCC#N.CC(C)CCCCC#N.CC(C)C[C@@H](C)CO.CC(C)C[C@H](C)CO.CC(C)[C@@H](C)CN.CC(C)[C@@H]1CCNC1.CC(C)[C@@H]1CCOC1.CC(C)[C@H](C)CN.CC(C)[C@H]1CCNC1.CC(C)[C@H]1CCOC1.CC1CCC(C(C)(C)C)C1.CCC(C)C.
What is the InChIKey of 1-tert-butyl-3-methylcyclopentane;(2R)-2,3-dimethylbutan-1-amine;(2S)-2,3-dimethylbutan-1-amine;2,3-dimethylbutane;(2R)-2,4-dimethylpentan-1-ol;(2S)-2,4-dimethylpentan-1-ol;2-methylbutane;6-methylheptanenitrile;5-methylhexanenitrile;4-methylpent-1-yne;2-methylpropane;2-methylpropylcyclopropane;4-(2-methylpropyl)piperidine;2-(2-methylpropyl)pyrrolidine;3-propan-2-ylazetidine;propan-2-ylcycloheptane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;(3S)-3-propan-2-yloxolane;(3R)-3-propan-2-yloxolane;(3R)-3-propan-2-ylpyrrolidine;(3S)-3-propan-2-ylpyrrolidine;2,2,3-trimethylbutane?
The InChIKey is BXYIPCJVPOIYPS-AZCWEIHUSA-N. The full InChI is InChI=1S/2C10H20.C9H19N.C9H18.C8H17N.C8H15N.C8H16.2C7H15N.C7H13N.2C7H14O.2C7H16O.C7H14.C7H16.C6H13N.2C6H15N.C6H12.C6H14.C6H10.C5H12.C4H10/c1-8-5-6-9(7-8)10(2,3)4;1-9(2)10-7-5-3-4-6-8-10;1-8(2)7-9-3-5-10-6-4-9;1-8(2)9-6-4-3-5-7-9;1-7(2)6-8-4-3-5-9-8;1-8(2)6-4-3-5-7-9;1-7(2)8-5-3-4-6-8;2*1-6(2)7-3-4-8-5-7;1-7(2)5-3-4-6-8;2*1-6(2)7-3-4-8-5-7;2*1-6(2)4-7(3)5-8;1-6(2)5-7-3-4-7;1-6(2)7(3,4)5;1-5(2)6-3-7-4-6;2*1-5(2)6(3)4-7;1-5(2)6-3-4-6;1-5(2)6(3)4;1-4-5-6(2)3;1-4-5(2)3;1-4(2)3/h8-9H,5-7H2,1-4H3;9-10H,3-8H2,1-2H3;8-10H,3-7H2,1-2H3;8-9H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;8H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;2*6-8H,3-5H2,1-2H3;7H,3-5H2,1-2H3;2*6-7H,3-5H2,1-2H3;2*6-8H,4-5H2,1-3H3;6-7H,3-5H2,1-2H3;6H,1-5H3;5-7H,3-4H2,1-2H3;2*5-6H,4,7H2,1-3H3;5-6H,3-4H2,1-2H3;5-6H,1-4H3;1,6H,5H2,2-3H3;5H,4H2,1-3H3;4H,1-3H3/t;;;;;;;2*7-;;4*7-;;;;2*6-;;;;;/m.......10.1010...10...../s1.
What are the key properties of 1-tert-butyl-3-methylcyclopentane;(2R)-2,3-dimethylbutan-1-amine;(2S)-2,3-dimethylbutan-1-amine;2,3-dimethylbutane;(2R)-2,4-dimethylpentan-1-ol;(2S)-2,4-dimethylpentan-1-ol;2-methylbutane;6-methylheptanenitrile;5-methylhexanenitrile;4-methylpent-1-yne;2-methylpropane;2-methylpropylcyclopropane;4-(2-methylpropyl)piperidine;2-(2-methylpropyl)pyrrolidine;3-propan-2-ylazetidine;propan-2-ylcycloheptane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;(3S)-3-propan-2-yloxolane;(3R)-3-propan-2-yloxolane;(3R)-3-propan-2-ylpyrrolidine;(3S)-3-propan-2-ylpyrrolidine;2,2,3-trimethylbutane?
1-tert-butyl-3-methylcyclopentane;(2R)-2,3-dimethylbutan-1-amine;(2S)-2,3-dimethylbutan-1-amine;2,3-dimethylbutane;(2R)-2,4-dimethylpentan-1-ol;(2S)-2,4-dimethylpentan-1-ol;2-methylbutane;6-methylheptanenitrile;5-methylhexanenitrile;4-methylpent-1-yne;2-methylpropane;2-methylpropylcyclopropane;4-(2-methylpropyl)piperidine;2-(2-methylpropyl)pyrrolidine;3-propan-2-ylazetidine;propan-2-ylcycloheptane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;(3S)-3-propan-2-yloxolane;(3R)-3-propan-2-yloxolane;(3R)-3-propan-2-ylpyrrolidine;(3S)-3-propan-2-ylpyrrolidine;2,2,3-trimethylbutane has a molecular weight of 2593.80 g/mol, XLogP of 49.40, 35 rotatable bonds, 9 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-methylcyclopentane;(2R)-2,3-dimethylbutan-1-amine;(2S)-2,3-dimethylbutan-1-amine;2,3-dimethylbutane;(2R)-2,4-dimethylpentan-1-ol;(2S)-2,4-dimethylpentan-1-ol;2-methylbutane;6-methylheptanenitrile;5-methylhexanenitrile;4-methylpent-1-yne;2-methylpropane;2-methylpropylcyclopropane;4-(2-methylpropyl)piperidine;2-(2-methylpropyl)pyrrolidine;3-propan-2-ylazetidine;propan-2-ylcycloheptane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;(3S)-3-propan-2-yloxolane;(3R)-3-propan-2-yloxolane;(3R)-3-propan-2-ylpyrrolidine;(3S)-3-propan-2-ylpyrrolidine;2,2,3-trimethylbutane is sourced from PubChem (CID 157496967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).