cis-(1S,3R)-3-methyl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine

C14H21N — CID 95376461

IUPACcis-(1S,3R)-3-methyl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine
SMILESCc1ccccc1CN[C@H]1CC[C@@H](C)C1
InChIInChI=1S/C14H21N/c1-11-7-8-14(9-11)15-10-13-6-4-3-5-12(13)2/h3-6,11,14-15H,7-10H2,1-2H3/t11-,14+/m1/s1
InChIKeyPNLXUSXPHJOPDU-RISCZKNCSA-N
MW203.33 g/mol
LogP3.27
Rot. Bonds3

About cis-(1S,3R)-3-methyl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine

cis-(1S,3R)-3-methyl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine (PubChem CID 95376461) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is cis-(1S,3R)-3-methyl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1S,3R)-3-methyl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine
PubChem CID95376461
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Namecis-(1S,3R)-3-methyl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine
SMILESCc1ccccc1CN[C@H]1CC[C@@H](C)C1
InChIInChI=1S/C14H21N/c1-11-7-8-14(9-11)15-10-13-6-4-3-5-12(13)2/h3-6,11,14-15H,7-10H2,1-2H3/t11-,14+/m1/s1
InChIKeyPNLXUSXPHJOPDU-RISCZKNCSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[[(3-methylcyclopentyl)amino]methyl]aniline
CID 114543904
trans-(1S,3S)-N-[(2-bromophenyl)methyl]-3-methylcyclopentan-1-amine
CID 95376467
3-methyl-N-[(4-methyl-3-pyridinyl)methyl]cyclopentan-1-amine
CID 114544009
3-methyl-N-[(3-methyl-4-pyridinyl)methyl]cyclopentan-1-amine
CID 114699208
1,2-dimethyl-N-[(2-methylphenyl)methyl]piperidin-4-amine
CID 79032126
N-[(2-methylphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 55193476
3-[[(3-methylcyclopentyl)amino]methyl]naphthalen-2-amine
CID 114547274
N-[(2-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 43178807
3-methyl-N-[(4-phenylphenyl)methyl]cyclopentan-1-amine
CID 114543884
2-methyl-6-[[(3-methylcyclobutyl)amino]methyl]phenol
CID 115908013
3-methyl-N-(naphthalen-1-ylmethyl)cyclohexan-1-amine
CID 43317418
3-methyl-N-(quinolin-8-ylmethyl)cyclopentan-1-amine
CID 79032434

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-methyl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine?
The IUPAC name of cis-(1S,3R)-3-methyl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine (CID 95376461) is cis-(1S,3R)-3-methyl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine.
What is the SMILES notation for cis-(1S,3R)-3-methyl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine?
The canonical SMILES for cis-(1S,3R)-3-methyl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine is Cc1ccccc1CN[C@H]1CC[C@@H](C)C1.
What is the InChIKey of cis-(1S,3R)-3-methyl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine?
The InChIKey is PNLXUSXPHJOPDU-RISCZKNCSA-N. The full InChI is InChI=1S/C14H21N/c1-11-7-8-14(9-11)15-10-13-6-4-3-5-12(13)2/h3-6,11,14-15H,7-10H2,1-2H3/t11-,14+/m1/s1.
What are the key properties of cis-(1S,3R)-3-methyl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine?
cis-(1S,3R)-3-methyl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine has a molecular weight of 203.33 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-methyl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 95376461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).