2-methyl-3-[(4-propan-2-ylphenyl)methyl]cyclopentan-1-amine

C16H25N — CID 64909833

IUPAC2-methyl-3-[(4-propan-2-ylphenyl)methyl]cyclopentan-1-amine
SMILESCC(C)c1ccc(CC2CCC(N)C2C)cc1
InChIInChI=1S/C16H25N/c1-11(2)14-6-4-13(5-7-14)10-15-8-9-16(17)12(15)3/h4-7,11-12,15-16H,8-10,17H2,1-3H3
InChIKeyNSBBHJQSWQWUBG-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.73
Rot. Bonds3

About 2-methyl-3-[(4-propan-2-ylphenyl)methyl]cyclopentan-1-amine

2-methyl-3-[(4-propan-2-ylphenyl)methyl]cyclopentan-1-amine (PubChem CID 64909833) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 2-methyl-3-[(4-propan-2-ylphenyl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-methyl-3-[(4-propan-2-ylphenyl)methyl]cyclopentan-1-amine
PubChem CID64909833
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name2-methyl-3-[(4-propan-2-ylphenyl)methyl]cyclopentan-1-amine
SMILESCC(C)c1ccc(CC2CCC(N)C2C)cc1
InChIInChI=1S/C16H25N/c1-11(2)14-6-4-13(5-7-14)10-15-8-9-16(17)12(15)3/h4-7,11-12,15-16H,8-10,17H2,1-3H3
InChIKeyNSBBHJQSWQWUBG-UHFFFAOYSA-N
XLogP3.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-2-[(4-propan-2-ylphenyl)methyl]cyclopentan-1-amine
CID 61381552
3-[(5-ethyl-2-pyridinyl)methyl]-2-methylcyclopentan-1-amine
CID 79737999
5-methyl-2-[(4-propan-2-ylphenyl)methyl]piperidine
CID 81319258
4,4-dimethyl-2-[(4-propan-2-ylphenyl)methyl]cyclohexane-1-carboxylic acid
CID 81013895
3-methyl-2-[(4-propan-2-ylphenyl)methyl]piperidine
CID 106778627
(1R,2R,4S)-2-[(4-chlorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 99949065
3-[(5-ethylthiophen-2-yl)methyl]-2-methylcyclopentan-1-amine
CID 64907667
2-[(4-propan-2-ylphenyl)methyl]pyrrolidine
CID 14921538
2,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine
CID 58659507
3-[(1-ethylpyrazol-4-yl)methyl]-2-methylcyclopentan-1-amine
CID 64909188
3-[(4-iodophenyl)methyl]-2-methylcyclopentan-1-ol
CID 65490568
2-cyclopropyl-2-(4-propan-2-ylphenyl)ethanamine
CID 82024028

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(4-propan-2-ylphenyl)methyl]cyclopentan-1-amine?
The IUPAC name of 2-methyl-3-[(4-propan-2-ylphenyl)methyl]cyclopentan-1-amine (CID 64909833) is 2-methyl-3-[(4-propan-2-ylphenyl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 2-methyl-3-[(4-propan-2-ylphenyl)methyl]cyclopentan-1-amine?
The canonical SMILES for 2-methyl-3-[(4-propan-2-ylphenyl)methyl]cyclopentan-1-amine is CC(C)c1ccc(CC2CCC(N)C2C)cc1.
What is the InChIKey of 2-methyl-3-[(4-propan-2-ylphenyl)methyl]cyclopentan-1-amine?
The InChIKey is NSBBHJQSWQWUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-11(2)14-6-4-13(5-7-14)10-15-8-9-16(17)12(15)3/h4-7,11-12,15-16H,8-10,17H2,1-3H3.
What are the key properties of 2-methyl-3-[(4-propan-2-ylphenyl)methyl]cyclopentan-1-amine?
2-methyl-3-[(4-propan-2-ylphenyl)methyl]cyclopentan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(4-propan-2-ylphenyl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 64909833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).