2,4,4-trimethyl-N-(3-methylbutyl)cyclopentan-1-amine

C13H27N — CID 106661565

IUPAC2,4,4-trimethyl-N-(3-methylbutyl)cyclopentan-1-amine
SMILESCC(C)CCNC1CC(C)(C)CC1C
InChIInChI=1S/C13H27N/c1-10(2)6-7-14-12-9-13(4,5)8-11(12)3/h10-12,14H,6-9H2,1-5H3
InChIKeyVKVHSBJEEWLEON-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.45
Rot. Bonds4

About 2,4,4-trimethyl-N-(3-methylbutyl)cyclopentan-1-amine

2,4,4-trimethyl-N-(3-methylbutyl)cyclopentan-1-amine (PubChem CID 106661565) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 2,4,4-trimethyl-N-(3-methylbutyl)cyclopentan-1-amine.

Molecular Properties

Compound Name2,4,4-trimethyl-N-(3-methylbutyl)cyclopentan-1-amine
PubChem CID106661565
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name2,4,4-trimethyl-N-(3-methylbutyl)cyclopentan-1-amine
SMILESCC(C)CCNC1CC(C)(C)CC1C
InChIInChI=1S/C13H27N/c1-10(2)6-7-14-12-9-13(4,5)8-11(12)3/h10-12,14H,6-9H2,1-5H3
InChIKeyVKVHSBJEEWLEON-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4,4-trimethyl-N-[3-(2-methylpropoxy)propyl]cyclopentan-1-amine
CID 106661703
N-propan-2-yl-2-[[(1R,2S)-2,4,4-trimethylcyclopentyl]amino]ethanesulfonamide
CID 99838091
N'-methyl-N'-propan-2-yl-N-(2,4,4-trimethylcyclopentyl)butane-1,4-diamine
CID 106662443
6-[(2,4,4-trimethylcyclopentyl)amino]hexan-1-ol
CID 106813241
3-[(2,4,4-trimethylcyclopentyl)amino]propanoic acid
CID 106661765
N-(2-methoxypropyl)-2,4,4-trimethylcyclopentan-1-amine
CID 106662856
N'-ethyl-N'-methyl-N-(2,4,4-trimethylcyclopentyl)ethane-1,2-diamine
CID 106662472
N-[2-[[(1S,2S)-2,4,4-trimethylcyclopentyl]amino]ethyl]methanesulfonamide
CID 99836162
2-methyl-N-(3-methylbutyl)cyclopentan-1-amine
CID 63277629
2,4,4-trimethyl-N-(3-methylsulfinylpropyl)cyclopentan-1-amine
CID 106662803
2,4,4-trimethyl-N-(2-methylcyclopropyl)cyclopentan-1-amine
CID 106662465
5-[(2,4,4-trimethylcyclohexyl)amino]pentan-2-ol
CID 107270331

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-N-(3-methylbutyl)cyclopentan-1-amine?
The IUPAC name of 2,4,4-trimethyl-N-(3-methylbutyl)cyclopentan-1-amine (CID 106661565) is 2,4,4-trimethyl-N-(3-methylbutyl)cyclopentan-1-amine.
What is the SMILES notation for 2,4,4-trimethyl-N-(3-methylbutyl)cyclopentan-1-amine?
The canonical SMILES for 2,4,4-trimethyl-N-(3-methylbutyl)cyclopentan-1-amine is CC(C)CCNC1CC(C)(C)CC1C.
What is the InChIKey of 2,4,4-trimethyl-N-(3-methylbutyl)cyclopentan-1-amine?
The InChIKey is VKVHSBJEEWLEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-10(2)6-7-14-12-9-13(4,5)8-11(12)3/h10-12,14H,6-9H2,1-5H3.
What are the key properties of 2,4,4-trimethyl-N-(3-methylbutyl)cyclopentan-1-amine?
2,4,4-trimethyl-N-(3-methylbutyl)cyclopentan-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-N-(3-methylbutyl)cyclopentan-1-amine is sourced from PubChem (CID 106661565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).