3-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]cyclopentan-1-amine

C15H23N — CID 81374284

IUPAC3-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]cyclopentan-1-amine
SMILESCc1ccccc1[C@H](C)NC1CCC(C)C1
InChIInChI=1S/C15H23N/c1-11-8-9-14(10-11)16-13(3)15-7-5-4-6-12(15)2/h4-7,11,13-14,16H,8-10H2,1-3H3/t11?,13-,14?/m0/s1
InChIKeyHIBBQZHFXJGRAP-QRMWWUJWSA-N
MW217.36 g/mol
LogP3.83
Rot. Bonds3

About 3-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]cyclopentan-1-amine

3-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]cyclopentan-1-amine (PubChem CID 81374284) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 3-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]cyclopentan-1-amine
PubChem CID81374284
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name3-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]cyclopentan-1-amine
SMILESCc1ccccc1[C@H](C)NC1CCC(C)C1
InChIInChI=1S/C15H23N/c1-11-8-9-14(10-11)16-13(3)15-7-5-4-6-12(15)2/h4-7,11,13-14,16H,8-10H2,1-3H3/t11?,13-,14?/m0/s1
InChIKeyHIBBQZHFXJGRAP-QRMWWUJWSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-N-[1-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 43081561
4-methyl-N-[1-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 43081539
2,5-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 81373172
2,4-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 81375454
3-[[(1R)-1-(2-methylphenyl)ethyl]amino]cyclohexane-1-carboxylic acid
CID 104881612
4-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 113414416
2-methyl-N-[1-(2-methylphenyl)ethyl]cyclopropan-1-amine
CID 62397879
4,4-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 81373520
N-[(1S)-1-(2-methylphenyl)ethyl]oxan-4-amine
CID 81374300
N-[(1R)-1-(2-methylphenyl)ethyl]oxan-4-amine
CID 81373739
N-[(1S)-1-(2-methylphenyl)ethyl]-2-propan-2-yloxan-4-amine
CID 81374208
N-[(1R)-1-(2-methylphenyl)ethyl]oxetan-3-amine
CID 81373882

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]cyclopentan-1-amine?
The IUPAC name of 3-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]cyclopentan-1-amine (CID 81374284) is 3-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]cyclopentan-1-amine.
What is the SMILES notation for 3-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]cyclopentan-1-amine?
The canonical SMILES for 3-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]cyclopentan-1-amine is Cc1ccccc1[C@H](C)NC1CCC(C)C1.
What is the InChIKey of 3-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]cyclopentan-1-amine?
The InChIKey is HIBBQZHFXJGRAP-QRMWWUJWSA-N. The full InChI is InChI=1S/C15H23N/c1-11-8-9-14(10-11)16-13(3)15-7-5-4-6-12(15)2/h4-7,11,13-14,16H,8-10H2,1-3H3/t11?,13-,14?/m0/s1.
What are the key properties of 3-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]cyclopentan-1-amine?
3-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]cyclopentan-1-amine has a molecular weight of 217.36 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]cyclopentan-1-amine is sourced from PubChem (CID 81374284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).