3-(cyclopentylmethyl)-N,4-dimethylpentan-2-amine

C13H27N — CID 62915823

IUPAC3-(cyclopentylmethyl)-N,4-dimethylpentan-2-amine
SMILESCNC(C)C(CC1CCCC1)C(C)C
InChIInChI=1S/C13H27N/c1-10(2)13(11(3)14-4)9-12-7-5-6-8-12/h10-14H,5-9H2,1-4H3
InChIKeyPKVAJPVEHRDRKH-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.45
Rot. Bonds5

About 3-(cyclopentylmethyl)-N,4-dimethylpentan-2-amine

3-(cyclopentylmethyl)-N,4-dimethylpentan-2-amine (PubChem CID 62915823) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 3-(cyclopentylmethyl)-N,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name3-(cyclopentylmethyl)-N,4-dimethylpentan-2-amine
PubChem CID62915823
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name3-(cyclopentylmethyl)-N,4-dimethylpentan-2-amine
SMILESCNC(C)C(CC1CCCC1)C(C)C
InChIInChI=1S/C13H27N/c1-10(2)13(11(3)14-4)9-12-7-5-6-8-12/h10-14H,5-9H2,1-4H3
InChIKeyPKVAJPVEHRDRKH-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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

(3-methyl-2-propan-2-ylbutyl)cycloheptane
CID 123585668
(2S)-1-cyclohexyl-N,3-dimethylbutan-2-amine
CID 167019095
3-cyclopentyl-N,2-dimethylpropan-1-amine
CID 62530877
1,2-dicyclopentyl-N-methylethanamine
CID 62601762
2-cyclohexyl-1-cyclopropyl-N-methylethanamine
CID 62600401
2-(cyclopentylmethyl)-N,3-dimethylbutan-1-amine
CID 62529539
2,3-dimethylbutylcyclodecane
CID 123220792
4-cyclopropyl-3-fluoro-N-methylbutan-2-amine
CID 105428850
2-cyclohexyl-1-N'-methylethane-1,1-diamine
CID 139541919
bis(2-methylpropylcyclohexane);2-methylpropylcyclopentane
CID 159474199
methane;2-methylpropylcyclopentane
CID 161254337
2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159402972

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylmethyl)-N,4-dimethylpentan-2-amine?
The IUPAC name of 3-(cyclopentylmethyl)-N,4-dimethylpentan-2-amine (CID 62915823) is 3-(cyclopentylmethyl)-N,4-dimethylpentan-2-amine.
What is the SMILES notation for 3-(cyclopentylmethyl)-N,4-dimethylpentan-2-amine?
The canonical SMILES for 3-(cyclopentylmethyl)-N,4-dimethylpentan-2-amine is CNC(C)C(CC1CCCC1)C(C)C.
What is the InChIKey of 3-(cyclopentylmethyl)-N,4-dimethylpentan-2-amine?
The InChIKey is PKVAJPVEHRDRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-10(2)13(11(3)14-4)9-12-7-5-6-8-12/h10-14H,5-9H2,1-4H3.
What are the key properties of 3-(cyclopentylmethyl)-N,4-dimethylpentan-2-amine?
3-(cyclopentylmethyl)-N,4-dimethylpentan-2-amine has a molecular weight of 197.37 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylmethyl)-N,4-dimethylpentan-2-amine is sourced from PubChem (CID 62915823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).