methane;tris(1-propan-2-ylazetidine);propan-2-ylcyclohexane;propan-2-ylcyclopentane;1-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine

C77H173N9 — CID 161260674

IUPACmethane;tris(1-propan-2-ylazetidine);propan-2-ylcyclohexane;propan-2-ylcyclopentane;1-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine
SMILESC.C.C.C.C.CC(C)C1CCCC1.CC(C)C1CCCCC1.CC(C)C1CCCN1.CC(C)N1CCC1.CC(C)N1CCC1.CC(C)N1CCC1.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCNCC1
InChIInChI=1S/C9H18.2C8H17N.C8H16.C7H16N2.2C7H15N.3C6H13N.5CH4/c3*1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-8;1-7(2)9-5-3-8-4-6-9;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-8-7;3*1-6(2)7-4-3-5-7;;;;;/h8-9H,3-7H2,1-2H3;2*8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;3*6H,3-5H2,1-2H3;5*1H4
InChIKeyVCMSFOBDQMCYEC-UHFFFAOYSA-N
MW1225.29 g/mol
LogP19.48
Rot. Bonds10

About methane;tris(1-propan-2-ylazetidine);propan-2-ylcyclohexane;propan-2-ylcyclopentane;1-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine

methane;tris(1-propan-2-ylazetidine);propan-2-ylcyclohexane;propan-2-ylcyclopentane;1-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine (PubChem CID 161260674) has the molecular formula C77H173N9 and a molecular weight of 1225.29 g/mol. Its IUPAC name is methane;tris(1-propan-2-ylazetidine);propan-2-ylcyclohexane;propan-2-ylcyclopentane;1-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine.

Molecular Properties

Compound Namemethane;tris(1-propan-2-ylazetidine);propan-2-ylcyclohexane;propan-2-ylcyclopentane;1-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine
PubChem CID161260674
Molecular FormulaC77H173N9
Molecular Weight1225.29 g/mol
Exact Mass1224.38
IUPAC Namemethane;tris(1-propan-2-ylazetidine);propan-2-ylcyclohexane;propan-2-ylcyclopentane;1-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine
SMILESC.C.C.C.C.CC(C)C1CCCC1.CC(C)C1CCCCC1.CC(C)C1CCCN1.CC(C)N1CCC1.CC(C)N1CCC1.CC(C)N1CCC1.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCNCC1
InChIInChI=1S/C9H18.2C8H17N.C8H16.C7H16N2.2C7H15N.3C6H13N.5CH4/c3*1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-8;1-7(2)9-5-3-8-4-6-9;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-8-7;3*1-6(2)7-4-3-5-7;;;;;/h8-9H,3-7H2,1-2H3;2*8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;3*6H,3-5H2,1-2H3;5*1H4
InChIKeyVCMSFOBDQMCYEC-UHFFFAOYSA-N
XLogP19.48
TPSA46.74 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001225.29
LogP ≤ 519.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze methane;tris(1-propan-2-ylazetidine);propan-2-ylcyclohexane;propan-2-ylcyclopentane;1-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine with MolForge

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Launch Full Analysis

Related Compounds

2-Tert-butylazetidine;3-tert-butylazetidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine
CID 158263077
1-ethylpiperazine;2-[3-[2-[(4S)-2-[(1-methylpiperidin-4-yl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]ethyl]-1-(2-propylpentyl)azetidin-3-yl]ethanamine;2-[(1-methylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.4]octane
CID 162741990
Tris(1-propan-2-ylazetidine);propan-2-ylcyclohexane;propan-2-ylcyclopentane;1-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine
CID 164154330

Frequently Asked Questions

What is the IUPAC name of methane;tris(1-propan-2-ylazetidine);propan-2-ylcyclohexane;propan-2-ylcyclopentane;1-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine?
The IUPAC name of methane;tris(1-propan-2-ylazetidine);propan-2-ylcyclohexane;propan-2-ylcyclopentane;1-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine (CID 161260674) is methane;tris(1-propan-2-ylazetidine);propan-2-ylcyclohexane;propan-2-ylcyclopentane;1-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine.
What is the SMILES notation for methane;tris(1-propan-2-ylazetidine);propan-2-ylcyclohexane;propan-2-ylcyclopentane;1-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine?
The canonical SMILES for methane;tris(1-propan-2-ylazetidine);propan-2-ylcyclohexane;propan-2-ylcyclopentane;1-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine is C.C.C.C.C.CC(C)C1CCCC1.CC(C)C1CCCCC1.CC(C)C1CCCN1.CC(C)N1CCC1.CC(C)N1CCC1.CC(C)N1CCC1.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCNCC1.
What is the InChIKey of methane;tris(1-propan-2-ylazetidine);propan-2-ylcyclohexane;propan-2-ylcyclopentane;1-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine?
The InChIKey is VCMSFOBDQMCYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18.2C8H17N.C8H16.C7H16N2.2C7H15N.3C6H13N.5CH4/c3*1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-8;1-7(2)9-5-3-8-4-6-9;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-8-7;3*1-6(2)7-4-3-5-7;;;;;/h8-9H,3-7H2,1-2H3;2*8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;3*6H,3-5H2,1-2H3;5*1H4.
What are the key properties of methane;tris(1-propan-2-ylazetidine);propan-2-ylcyclohexane;propan-2-ylcyclopentane;1-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine?
methane;tris(1-propan-2-ylazetidine);propan-2-ylcyclohexane;propan-2-ylcyclopentane;1-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine has a molecular weight of 1225.29 g/mol, XLogP of 19.48, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methane;tris(1-propan-2-ylazetidine);propan-2-ylcyclohexane;propan-2-ylcyclopentane;1-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine is sourced from PubChem (CID 161260674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).