2-(cyclopentylmethyl)-N,3-dimethylbutan-1-amine

C12H25N — CID 62529539

IUPAC2-(cyclopentylmethyl)-N,3-dimethylbutan-1-amine
SMILESCNCC(CC1CCCC1)C(C)C
InChIInChI=1S/C12H25N/c1-10(2)12(9-13-3)8-11-6-4-5-7-11/h10-13H,4-9H2,1-3H3
InChIKeyYZZZNHZFBUKLSM-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.06
Rot. Bonds5

About 2-(cyclopentylmethyl)-N,3-dimethylbutan-1-amine

2-(cyclopentylmethyl)-N,3-dimethylbutan-1-amine (PubChem CID 62529539) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 2-(cyclopentylmethyl)-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-(cyclopentylmethyl)-N,3-dimethylbutan-1-amine
PubChem CID62529539
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name2-(cyclopentylmethyl)-N,3-dimethylbutan-1-amine
SMILESCNCC(CC1CCCC1)C(C)C
InChIInChI=1S/C12H25N/c1-10(2)12(9-13-3)8-11-6-4-5-7-11/h10-13H,4-9H2,1-3H3
InChIKeyYZZZNHZFBUKLSM-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-tert-butyl-2-(cyclopentylmethyl)-3-methylbutan-1-amine
CID 63522044
3-cyclopentyl-N,2-dimethylpropan-1-amine
CID 62530877
2-(cyclopentylmethyl)-3-methyl-N-propylbutan-1-amine
CID 63522393
[2-(chloromethyl)-3-methylbutyl]cyclopentane
CID 66035214
(2R)-3-cyclopentyl-2-fluoro-N-methylpropan-1-amine
CID 129462680
3-cyclopentyl-2-methoxy-N-methylpropan-1-amine
CID 105434938
(2S)-1-cyclohexyl-N,3-dimethylbutan-2-amine
CID 167019095
2-propan-2-ylpentylcyclobutane
CID 161147859
3-(cyclohexylmethyl)-4-methylpentanenitrile
CID 67965037
2-cycloheptyl-N-methylpropan-1-amine
CID 82931674
3-(cyclopentylmethyl)-N,4-dimethylpentan-2-amine
CID 62915823
(4R)-4-(cyclobutylmethyl)-5-methylhexan-2-amine
CID 89058597

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethyl)-N,3-dimethylbutan-1-amine?
The IUPAC name of 2-(cyclopentylmethyl)-N,3-dimethylbutan-1-amine (CID 62529539) is 2-(cyclopentylmethyl)-N,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-(cyclopentylmethyl)-N,3-dimethylbutan-1-amine?
The canonical SMILES for 2-(cyclopentylmethyl)-N,3-dimethylbutan-1-amine is CNCC(CC1CCCC1)C(C)C.
What is the InChIKey of 2-(cyclopentylmethyl)-N,3-dimethylbutan-1-amine?
The InChIKey is YZZZNHZFBUKLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-10(2)12(9-13-3)8-11-6-4-5-7-11/h10-13H,4-9H2,1-3H3.
What are the key properties of 2-(cyclopentylmethyl)-N,3-dimethylbutan-1-amine?
2-(cyclopentylmethyl)-N,3-dimethylbutan-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethyl)-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 62529539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).