3-methyl-1-(1-phenylcyclopentyl)butan-1-amine

C16H25N — CID 63080300

IUPAC3-methyl-1-(1-phenylcyclopentyl)butan-1-amine
SMILESCC(C)CC(N)C1(c2ccccc2)CCCC1
InChIInChI=1S/C16H25N/c1-13(2)12-15(17)16(10-6-7-11-16)14-8-4-3-5-9-14/h3-5,8-9,13,15H,6-7,10-12,17H2,1-2H3
InChIKeyPNSNXSAYPNMKMH-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.87
Rot. Bonds4

About 3-methyl-1-(1-phenylcyclopentyl)butan-1-amine

3-methyl-1-(1-phenylcyclopentyl)butan-1-amine (PubChem CID 63080300) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 3-methyl-1-(1-phenylcyclopentyl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-1-(1-phenylcyclopentyl)butan-1-amine
PubChem CID63080300
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name3-methyl-1-(1-phenylcyclopentyl)butan-1-amine
SMILESCC(C)CC(N)C1(c2ccccc2)CCCC1
InChIInChI=1S/C16H25N/c1-13(2)12-15(17)16(10-6-7-11-16)14-8-4-3-5-9-14/h3-5,8-9,13,15H,6-7,10-12,17H2,1-2H3
InChIKeyPNSNXSAYPNMKMH-UHFFFAOYSA-N
XLogP3.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-1-(1-phenylcyclopentyl)pentan-1-amine
CID 63417669
1-(1-phenylcyclopentyl)ethanamine;hydrochloride
CID 75466877
(1R)-1-(1-phenylcyclohexyl)ethanamine
CID 78998571
1-(1-phenylcyclohexyl)-2-propan-2-yloxyethanamine
CID 79574267
[3-methyl-1-(1-phenylcyclopropyl)butyl]hydrazine
CID 105217001
3-methyl-1-(1-phenylcyclopentyl)but-3-en-1-amine
CID 79185586
3-methoxy-1-(1-phenylcyclopentyl)propan-1-amine
CID 114993811
1-(1-phenylcyclohexyl)pent-3-yn-1-amine
CID 63079549
1-[1-(3-chloro-4-fluorophenyl)cyclobutyl]-3-methylbutan-1-amine
CID 137333011
1-(1-phenylcyclohexyl)octan-1-amine
CID 63417810
2-methyl-1-(1-phenylcyclopropyl)pentan-1-amine
CID 107893368
[5-methyl-1-(1-phenylcyclopentyl)hexyl]hydrazine
CID 105217526

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-phenylcyclopentyl)butan-1-amine?
The IUPAC name of 3-methyl-1-(1-phenylcyclopentyl)butan-1-amine (CID 63080300) is 3-methyl-1-(1-phenylcyclopentyl)butan-1-amine.
What is the SMILES notation for 3-methyl-1-(1-phenylcyclopentyl)butan-1-amine?
The canonical SMILES for 3-methyl-1-(1-phenylcyclopentyl)butan-1-amine is CC(C)CC(N)C1(c2ccccc2)CCCC1.
What is the InChIKey of 3-methyl-1-(1-phenylcyclopentyl)butan-1-amine?
The InChIKey is PNSNXSAYPNMKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-13(2)12-15(17)16(10-6-7-11-16)14-8-4-3-5-9-14/h3-5,8-9,13,15H,6-7,10-12,17H2,1-2H3.
What are the key properties of 3-methyl-1-(1-phenylcyclopentyl)butan-1-amine?
3-methyl-1-(1-phenylcyclopentyl)butan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-phenylcyclopentyl)butan-1-amine is sourced from PubChem (CID 63080300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).