2-(cyclopentylmethyl)-3-methyl-N-propylbutan-1-amine

C14H29N — CID 63522393

IUPAC2-(cyclopentylmethyl)-3-methyl-N-propylbutan-1-amine
SMILESCCCNCC(CC1CCCC1)C(C)C
InChIInChI=1S/C14H29N/c1-4-9-15-11-14(12(2)3)10-13-7-5-6-8-13/h12-15H,4-11H2,1-3H3
InChIKeyUFQIQSGMROATFZ-UHFFFAOYSA-N
MW211.39 g/mol
LogP3.84
Rot. Bonds7

About 2-(cyclopentylmethyl)-3-methyl-N-propylbutan-1-amine

2-(cyclopentylmethyl)-3-methyl-N-propylbutan-1-amine (PubChem CID 63522393) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 2-(cyclopentylmethyl)-3-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-(cyclopentylmethyl)-3-methyl-N-propylbutan-1-amine
PubChem CID63522393
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name2-(cyclopentylmethyl)-3-methyl-N-propylbutan-1-amine
SMILESCCCNCC(CC1CCCC1)C(C)C
InChIInChI=1S/C14H29N/c1-4-9-15-11-14(12(2)3)10-13-7-5-6-8-13/h12-15H,4-11H2,1-3H3
InChIKeyUFQIQSGMROATFZ-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopentylmethyl)-N,3-dimethylbutan-1-amine
CID 62529539
N-tert-butyl-2-(cyclopentylmethyl)-3-methylbutan-1-amine
CID 63522044
4-cyclohexyl-3-methyl-N-propylbutan-1-amine
CID 81019280
2-(cyclopropylmethoxymethyl)-3-methyl-N-propylbutan-1-amine
CID 106930604
2-propan-2-ylpentylcyclobutane
CID 161147859
2-cyclopentyl-3,3-dimethyl-N-propylbutan-1-amine
CID 83139413
2-methyl-3-(4-methylcyclohexyl)-N-propylpropan-1-amine
CID 64776338
[2-(chloromethyl)-3-methylbutyl]cyclopentane
CID 66035214
3-N-(cyclopentylmethyl)-3-N,2-dimethyl-1-N-propylbutane-1,3-diamine
CID 79408443
2-cyclohexyl-N-propylpentan-1-amine
CID 82932453
(2S)-2-[(2S)-piperidin-2-yl]-N-propylpropan-1-amine
CID 125425171
2-N-(cyclobutylmethyl)-2-N-methyl-1-N-propylpropane-1,2-diamine
CID 62854576

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethyl)-3-methyl-N-propylbutan-1-amine?
The IUPAC name of 2-(cyclopentylmethyl)-3-methyl-N-propylbutan-1-amine (CID 63522393) is 2-(cyclopentylmethyl)-3-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 2-(cyclopentylmethyl)-3-methyl-N-propylbutan-1-amine?
The canonical SMILES for 2-(cyclopentylmethyl)-3-methyl-N-propylbutan-1-amine is CCCNCC(CC1CCCC1)C(C)C.
What is the InChIKey of 2-(cyclopentylmethyl)-3-methyl-N-propylbutan-1-amine?
The InChIKey is UFQIQSGMROATFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-4-9-15-11-14(12(2)3)10-13-7-5-6-8-13/h12-15H,4-11H2,1-3H3.
What are the key properties of 2-(cyclopentylmethyl)-3-methyl-N-propylbutan-1-amine?
2-(cyclopentylmethyl)-3-methyl-N-propylbutan-1-amine has a molecular weight of 211.39 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethyl)-3-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 63522393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).