2-[(1-tert-butylcyclopropyl)methyl]guanidine;cis-(1S,3R)-3-methylcyclopentan-1-amine;3-(3,3-dimethylbutyl)azetidine;4,4-dimethylpentan-1-amine;3-(2,2-dimethylpropyl)azetidine;3-(2,2-dimethylpropyl)cyclobutan-1-amine;1-(2,2-dimethylpropyl)cyclopropan-1-amine;3-methylcyclobutan-1-amine;N,4,4-trimethylpentan-1-amine

C69H151N11 — CID 160711229

IUPAC2-[(1-tert-butylcyclopropyl)methyl]guanidine;cis-(1S,3R)-3-methylcyclopentan-1-amine;3-(3,3-dimethylbutyl)azetidine;4,4-dimethylpentan-1-amine;3-(2,2-dimethylpropyl)azetidine;3-(2,2-dimethylpropyl)cyclobutan-1-amine;1-(2,2-dimethylpropyl)cyclopropan-1-amine;3-methylcyclobutan-1-amine;N,4,4-trimethylpentan-1-amine
SMILESCC(C)(C)C1(CN=C(N)N)CC1.CC(C)(C)CC1(N)CC1.CC(C)(C)CC1CC(N)C1.CC(C)(C)CC1CNC1.CC(C)(C)CCC1CNC1.CC(C)(C)CCCN.CC1CC(N)C1.CNCCCC(C)(C)C.C[C@@H]1CC[C@H](N)C1
InChIInChI=1S/C9H19N3.2C9H19N.2C8H17N.C8H19N.C7H17N.C6H13N.C5H11N/c1-8(2,3)9(4-5-9)6-12-7(10)11;1-9(2,3)6-7-4-8(10)5-7;1-9(2,3)5-4-8-6-10-7-8;1-8(2,3)4-7-5-9-6-7;1-7(2,3)6-8(9)4-5-8;1-8(2,3)6-5-7-9-4;1-7(2,3)5-4-6-8;1-5-2-3-6(7)4-5;1-4-2-5(6)3-4/h4-6H2,1-3H3,(H4,10,11,12);7-8H,4-6,10H2,1-3H3;8,10H,4-7H2,1-3H3;7,9H,4-6H2,1-3H3;4-6,9H2,1-3H3;9H,5-7H2,1-4H3;4-6,8H2,1-3H3;5-6H,2-4,7H2,1H3;4-5H,2-3,6H2,1H3/t;;;;;;;5-,6+;/m.......1./s1
InChIKeyRRWQTSXPIUTOLR-JNUOPVQMSA-N
MW1135.04 g/mol
LogP14.51
Rot. Bonds12

About 2-[(1-tert-butylcyclopropyl)methyl]guanidine;cis-(1S,3R)-3-methylcyclopentan-1-amine;3-(3,3-dimethylbutyl)azetidine;4,4-dimethylpentan-1-amine;3-(2,2-dimethylpropyl)azetidine;3-(2,2-dimethylpropyl)cyclobutan-1-amine;1-(2,2-dimethylpropyl)cyclopropan-1-amine;3-methylcyclobutan-1-amine;N,4,4-trimethylpentan-1-amine

2-[(1-tert-butylcyclopropyl)methyl]guanidine;cis-(1S,3R)-3-methylcyclopentan-1-amine;3-(3,3-dimethylbutyl)azetidine;4,4-dimethylpentan-1-amine;3-(2,2-dimethylpropyl)azetidine;3-(2,2-dimethylpropyl)cyclobutan-1-amine;1-(2,2-dimethylpropyl)cyclopropan-1-amine;3-methylcyclobutan-1-amine;N,4,4-trimethylpentan-1-amine (PubChem CID 160711229) has the molecular formula C69H151N11 and a molecular weight of 1135.04 g/mol. Its IUPAC name is 2-[(1-tert-butylcyclopropyl)methyl]guanidine;cis-(1S,3R)-3-methylcyclopentan-1-amine;3-(3,3-dimethylbutyl)azetidine;4,4-dimethylpentan-1-amine;3-(2,2-dimethylpropyl)azetidine;3-(2,2-dimethylpropyl)cyclobutan-1-amine;1-(2,2-dimethylpropyl)cyclopropan-1-amine;3-methylcyclobutan-1-amine;N,4,4-trimethylpentan-1-amine.

Molecular Properties

Compound Name2-[(1-tert-butylcyclopropyl)methyl]guanidine;cis-(1S,3R)-3-methylcyclopentan-1-amine;3-(3,3-dimethylbutyl)azetidine;4,4-dimethylpentan-1-amine;3-(2,2-dimethylpropyl)azetidine;3-(2,2-dimethylpropyl)cyclobutan-1-amine;1-(2,2-dimethylpropyl)cyclopropan-1-amine;3-methylcyclobutan-1-amine;N,4,4-trimethylpentan-1-amine
PubChem CID160711229
Molecular FormulaC69H151N11
Molecular Weight1135.04 g/mol
Exact Mass1134.22
IUPAC Name2-[(1-tert-butylcyclopropyl)methyl]guanidine;cis-(1S,3R)-3-methylcyclopentan-1-amine;3-(3,3-dimethylbutyl)azetidine;4,4-dimethylpentan-1-amine;3-(2,2-dimethylpropyl)azetidine;3-(2,2-dimethylpropyl)cyclobutan-1-amine;1-(2,2-dimethylpropyl)cyclopropan-1-amine;3-methylcyclobutan-1-amine;N,4,4-trimethylpentan-1-amine
SMILESCC(C)(C)C1(CN=C(N)N)CC1.CC(C)(C)CC1(N)CC1.CC(C)(C)CC1CC(N)C1.CC(C)(C)CC1CNC1.CC(C)(C)CCC1CNC1.CC(C)(C)CCCN.CC1CC(N)C1.CNCCCC(C)(C)C.C[C@@H]1CC[C@H](N)C1
InChIInChI=1S/C9H19N3.2C9H19N.2C8H17N.C8H19N.C7H17N.C6H13N.C5H11N/c1-8(2,3)9(4-5-9)6-12-7(10)11;1-9(2,3)6-7-4-8(10)5-7;1-9(2,3)5-4-8-6-10-7-8;1-8(2,3)4-7-5-9-6-7;1-7(2,3)6-8(9)4-5-8;1-8(2,3)6-5-7-9-4;1-7(2,3)5-4-6-8;1-5-2-3-6(7)4-5;1-4-2-5(6)3-4/h4-6H2,1-3H3,(H4,10,11,12);7-8H,4-6,10H2,1-3H3;8,10H,4-7H2,1-3H3;7,9H,4-6H2,1-3H3;4-6,9H2,1-3H3;9H,5-7H2,1-4H3;4-6,8H2,1-3H3;5-6H,2-4,7H2,1H3;4-5H,2-3,6H2,1H3/t;;;;;;;5-,6+;/m.......1./s1
InChIKeyRRWQTSXPIUTOLR-JNUOPVQMSA-N
XLogP14.51
TPSA230.59 Ų
H-Bond Donors10
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001135.04
LogP ≤ 514.51
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[(1-tert-butylcyclopropyl)methyl]guanidine;cis-(1S,3R)-3-methylcyclopentan-1-amine;3-(3,3-dimethylbutyl)azetidine;4,4-dimethylpentan-1-amine;3-(2,2-dimethylpropyl)azetidine;3-(2,2-dimethylpropyl)cyclobutan-1-amine;1-(2,2-dimethylpropyl)cyclopropan-1-amine;3-methylcyclobutan-1-amine;N,4,4-trimethylpentan-1-amine with MolForge

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Related Compounds

6-tert-butyl-2-azaspiro[3.3]heptane;5-tert-butyl-4,5-dihydro-1H-imidazol-2-amine;cis-(1R,3S)-3-methylcyclopentan-1-amine;pentakis(3-(3,3-dimethylbutyl)cyclobutan-1-amine);4-(3,3-dimethylbutyl)piperidine;3-(2,2-dimethylpropyl)cyclobutan-1-amine;2-[3-(2,2-dimethylpropyl)cyclobutyl]guanidine;(3S)-N-(2,2-dimethylpropyl)pyrrolidin-3-amine;(3R)-N-(2,2-dimethylpropyl)pyrrolidin-3-amine;3-(2,2-dimethylpropyl)pyrrolidine;ethane;methane;(3R,5S)-5-methylpyrrolidin-3-amine;(3R,5R)-5-methylpyrrolidin-3-amine;(3S,5S)-5-methylpyrrolidin-3-amine;(3S,5R)-5-methylpyrrolidin-3-amine;(3S)-3-methylpyrrolidine;(3R)-3-methylpyrrolidine
CID 158243674
4-tert-butyl-1,1-dimethylpiperidin-1-ium;1-tert-butylpiperazine;4-tert-butylpyridine;2-(3,3-dimethylbutyl)guanidine;3-(5,5-dimethylhexyl)azetidine;ethane;3-methylcyclobutan-1-amine
CID 158022141
1-(2,2-dimethylpropyl)-3-methylcyclopentane
CID 58530421
1-(2,2-dimethylpropyl)cyclopropan-1-amine;hydrochloride
CID 51000356
(1R)-3-methylcyclopentan-1-amine
CID 58346799
3-[2-(3-aminopropyl)-4-[3-(methylamino)propyl]cyclohexyl]propan-1-amine
CID 144740854
N-methyl-3-(3-methylcyclobutyl)propan-1-amine
CID 119055096
2-tert-butyl-7-azaspiro[3.5]nonane;bis(4-tert-butyl-1-methylpyridin-1-ium);1-tert-butylpiperidin-4-amine;6-tert-butylspiro[3.3]heptan-2-amine;cis-(1R,3S)-3-methylcyclopentan-1-amine;1-(3,3-dimethylbutyl)piperazine;1-(3,3-dimethylbutyl)piperidin-4-amine;4-(3,3-dimethylbutyl)piperidine;4-(6,6-dimethylheptyl)piperidine;4-(5,5-dimethylhexyl)piperidine;4-(4,4-dimethylpentyl)piperidine;1-(2,2-dimethylpropyl)piperazine;1-(2,2-dimethylpropyl)piperidin-4-amine;ethane;3-methylcyclobutan-1-amine;bis(2-(3-methylcyclobutyl)guanidine);bis(4-methylcyclohexan-1-amine);(2R)-2-methylpiperazine;(2S)-2-methylpiperazine
CID 161143453
N-methyl-5-(4-methylcyclohexyl)pentan-1-amine
CID 91473840
4,4-dimethylpentan-1-amine
CID 14454757
N-[2-(azetidin-3-yl)ethyl]-3-methylcyclobutan-1-amine
CID 116680413
3,3-dimethyl-N'-(3-methylcyclopentyl)hexane-1,6-diamine
CID 114547293

Frequently Asked Questions

What is the IUPAC name of 2-[(1-tert-butylcyclopropyl)methyl]guanidine;cis-(1S,3R)-3-methylcyclopentan-1-amine;3-(3,3-dimethylbutyl)azetidine;4,4-dimethylpentan-1-amine;3-(2,2-dimethylpropyl)azetidine;3-(2,2-dimethylpropyl)cyclobutan-1-amine;1-(2,2-dimethylpropyl)cyclopropan-1-amine;3-methylcyclobutan-1-amine;N,4,4-trimethylpentan-1-amine?
The IUPAC name of 2-[(1-tert-butylcyclopropyl)methyl]guanidine;cis-(1S,3R)-3-methylcyclopentan-1-amine;3-(3,3-dimethylbutyl)azetidine;4,4-dimethylpentan-1-amine;3-(2,2-dimethylpropyl)azetidine;3-(2,2-dimethylpropyl)cyclobutan-1-amine;1-(2,2-dimethylpropyl)cyclopropan-1-amine;3-methylcyclobutan-1-amine;N,4,4-trimethylpentan-1-amine (CID 160711229) is 2-[(1-tert-butylcyclopropyl)methyl]guanidine;cis-(1S,3R)-3-methylcyclopentan-1-amine;3-(3,3-dimethylbutyl)azetidine;4,4-dimethylpentan-1-amine;3-(2,2-dimethylpropyl)azetidine;3-(2,2-dimethylpropyl)cyclobutan-1-amine;1-(2,2-dimethylpropyl)cyclopropan-1-amine;3-methylcyclobutan-1-amine;N,4,4-trimethylpentan-1-amine.
What is the SMILES notation for 2-[(1-tert-butylcyclopropyl)methyl]guanidine;cis-(1S,3R)-3-methylcyclopentan-1-amine;3-(3,3-dimethylbutyl)azetidine;4,4-dimethylpentan-1-amine;3-(2,2-dimethylpropyl)azetidine;3-(2,2-dimethylpropyl)cyclobutan-1-amine;1-(2,2-dimethylpropyl)cyclopropan-1-amine;3-methylcyclobutan-1-amine;N,4,4-trimethylpentan-1-amine?
The canonical SMILES for 2-[(1-tert-butylcyclopropyl)methyl]guanidine;cis-(1S,3R)-3-methylcyclopentan-1-amine;3-(3,3-dimethylbutyl)azetidine;4,4-dimethylpentan-1-amine;3-(2,2-dimethylpropyl)azetidine;3-(2,2-dimethylpropyl)cyclobutan-1-amine;1-(2,2-dimethylpropyl)cyclopropan-1-amine;3-methylcyclobutan-1-amine;N,4,4-trimethylpentan-1-amine is CC(C)(C)C1(CN=C(N)N)CC1.CC(C)(C)CC1(N)CC1.CC(C)(C)CC1CC(N)C1.CC(C)(C)CC1CNC1.CC(C)(C)CCC1CNC1.CC(C)(C)CCCN.CC1CC(N)C1.CNCCCC(C)(C)C.C[C@@H]1CC[C@H](N)C1.
What is the InChIKey of 2-[(1-tert-butylcyclopropyl)methyl]guanidine;cis-(1S,3R)-3-methylcyclopentan-1-amine;3-(3,3-dimethylbutyl)azetidine;4,4-dimethylpentan-1-amine;3-(2,2-dimethylpropyl)azetidine;3-(2,2-dimethylpropyl)cyclobutan-1-amine;1-(2,2-dimethylpropyl)cyclopropan-1-amine;3-methylcyclobutan-1-amine;N,4,4-trimethylpentan-1-amine?
The InChIKey is RRWQTSXPIUTOLR-JNUOPVQMSA-N. The full InChI is InChI=1S/C9H19N3.2C9H19N.2C8H17N.C8H19N.C7H17N.C6H13N.C5H11N/c1-8(2,3)9(4-5-9)6-12-7(10)11;1-9(2,3)6-7-4-8(10)5-7;1-9(2,3)5-4-8-6-10-7-8;1-8(2,3)4-7-5-9-6-7;1-7(2,3)6-8(9)4-5-8;1-8(2,3)6-5-7-9-4;1-7(2,3)5-4-6-8;1-5-2-3-6(7)4-5;1-4-2-5(6)3-4/h4-6H2,1-3H3,(H4,10,11,12);7-8H,4-6,10H2,1-3H3;8,10H,4-7H2,1-3H3;7,9H,4-6H2,1-3H3;4-6,9H2,1-3H3;9H,5-7H2,1-4H3;4-6,8H2,1-3H3;5-6H,2-4,7H2,1H3;4-5H,2-3,6H2,1H3/t;;;;;;;5-,6+;/m.......1./s1.
What are the key properties of 2-[(1-tert-butylcyclopropyl)methyl]guanidine;cis-(1S,3R)-3-methylcyclopentan-1-amine;3-(3,3-dimethylbutyl)azetidine;4,4-dimethylpentan-1-amine;3-(2,2-dimethylpropyl)azetidine;3-(2,2-dimethylpropyl)cyclobutan-1-amine;1-(2,2-dimethylpropyl)cyclopropan-1-amine;3-methylcyclobutan-1-amine;N,4,4-trimethylpentan-1-amine?
2-[(1-tert-butylcyclopropyl)methyl]guanidine;cis-(1S,3R)-3-methylcyclopentan-1-amine;3-(3,3-dimethylbutyl)azetidine;4,4-dimethylpentan-1-amine;3-(2,2-dimethylpropyl)azetidine;3-(2,2-dimethylpropyl)cyclobutan-1-amine;1-(2,2-dimethylpropyl)cyclopropan-1-amine;3-methylcyclobutan-1-amine;N,4,4-trimethylpentan-1-amine has a molecular weight of 1135.04 g/mol, XLogP of 14.51, 12 rotatable bonds, 10 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-tert-butylcyclopropyl)methyl]guanidine;cis-(1S,3R)-3-methylcyclopentan-1-amine;3-(3,3-dimethylbutyl)azetidine;4,4-dimethylpentan-1-amine;3-(2,2-dimethylpropyl)azetidine;3-(2,2-dimethylpropyl)cyclobutan-1-amine;1-(2,2-dimethylpropyl)cyclopropan-1-amine;3-methylcyclobutan-1-amine;N,4,4-trimethylpentan-1-amine is sourced from PubChem (CID 160711229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).