1-(1-methylcyclopentyl)-4-phenylbutan-1-amine

C16H25N — CID 115849307

IUPAC1-(1-methylcyclopentyl)-4-phenylbutan-1-amine
SMILESCC1(C(N)CCCc2ccccc2)CCCC1
InChIInChI=1S/C16H25N/c1-16(12-5-6-13-16)15(17)11-7-10-14-8-3-2-4-9-14/h2-4,8-9,15H,5-7,10-13,17H2,1H3
InChIKeyQLELRTFPLXGJDS-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.92
Rot. Bonds5

About 1-(1-methylcyclopentyl)-4-phenylbutan-1-amine

1-(1-methylcyclopentyl)-4-phenylbutan-1-amine (PubChem CID 115849307) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 1-(1-methylcyclopentyl)-4-phenylbutan-1-amine.

Molecular Properties

Compound Name1-(1-methylcyclopentyl)-4-phenylbutan-1-amine
PubChem CID115849307
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name1-(1-methylcyclopentyl)-4-phenylbutan-1-amine
SMILESCC1(C(N)CCCc2ccccc2)CCCC1
InChIInChI=1S/C16H25N/c1-16(12-5-6-13-16)15(17)11-7-10-14-8-3-2-4-9-14/h2-4,8-9,15H,5-7,10-13,17H2,1H3
InChIKeyQLELRTFPLXGJDS-UHFFFAOYSA-N
XLogP3.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-amino-4-phenylbutyl)-N,N-dimethylcyclohexan-1-amine
CID 79066143
[1-(1-methylcyclopropyl)-4-phenylbutyl]hydrazine
CID 105253238
1-(1-methylcyclopentyl)-3-thiophen-2-ylpropan-1-amine
CID 115860707
3-(1-methylcyclohexyl)pent-4-enylbenzene
CID 15445454
1-(2-methylthiolan-2-yl)-3-phenylpropan-1-amine
CID 105094059
[1-(2-methyloxolan-2-yl)-4-phenylbutyl]hydrazine
CID 105250664
1-phenyloctan-4-amine
CID 79413314
(1S)-4-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-amine
CID 168919733
(1R)-1,4-diphenylbutan-1-amine
CID 7131342
[2-chloro-2-(1-methylcyclohexyl)ethyl]benzene
CID 106828895
6-phenyl-3-propan-2-ylhexan-2-amine
CID 62915093
phenylmethoxycarbonyl (3S)-3-amino-3-(1-methylcyclopentyl)propanoate
CID 174501892

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclopentyl)-4-phenylbutan-1-amine?
The IUPAC name of 1-(1-methylcyclopentyl)-4-phenylbutan-1-amine (CID 115849307) is 1-(1-methylcyclopentyl)-4-phenylbutan-1-amine.
What is the SMILES notation for 1-(1-methylcyclopentyl)-4-phenylbutan-1-amine?
The canonical SMILES for 1-(1-methylcyclopentyl)-4-phenylbutan-1-amine is CC1(C(N)CCCc2ccccc2)CCCC1.
What is the InChIKey of 1-(1-methylcyclopentyl)-4-phenylbutan-1-amine?
The InChIKey is QLELRTFPLXGJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-16(12-5-6-13-16)15(17)11-7-10-14-8-3-2-4-9-14/h2-4,8-9,15H,5-7,10-13,17H2,1H3.
What are the key properties of 1-(1-methylcyclopentyl)-4-phenylbutan-1-amine?
1-(1-methylcyclopentyl)-4-phenylbutan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclopentyl)-4-phenylbutan-1-amine is sourced from PubChem (CID 115849307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).