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

C14H21N — CID 95376410

IUPACcis-(1R,3S)-3-methyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine
SMILESCc1cccc(CN[C@@H]2CC[C@H](C)C2)c1
InChIInChI=1S/C14H21N/c1-11-4-3-5-13(8-11)10-15-14-7-6-12(2)9-14/h3-5,8,12,14-15H,6-7,9-10H2,1-2H3/t12-,14+/m0/s1
InChIKeyIQHXHEJJPGJBMO-GXTWGEPZSA-N
MW203.33 g/mol
LogP3.27
Rot. Bonds3

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

cis-(1R,3S)-3-methyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine (PubChem CID 95376410) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is cis-(1R,3S)-3-methyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1R,3S)-3-methyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine
PubChem CID95376410
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Namecis-(1R,3S)-3-methyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine
SMILESCc1cccc(CN[C@@H]2CC[C@H](C)C2)c1
InChIInChI=1S/C14H21N/c1-11-4-3-5-13(8-11)10-15-14-7-6-12(2)9-14/h3-5,8,12,14-15H,6-7,9-10H2,1-2H3/t12-,14+/m0/s1
InChIKeyIQHXHEJJPGJBMO-GXTWGEPZSA-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

3,4-dimethyl-N-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 64731806
3,5-dimethyl-N-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 64724021
N-[(3-methylphenyl)methyl]cyclopropanamine
CID 16776498
3-methyl-N-[2-(3-methylphenyl)ethyl]cyclopentan-1-amine
CID 64500281
3-(3-methylphenyl)-N-[(3-methylphenyl)methyl]cyclobutan-1-amine
CID 43634409
N-[(3-methylphenyl)methyl]-3-propan-2-ylcyclobutan-1-amine
CID 103560905
2-methyl-5-[[(3-methylcyclopentyl)amino]methyl]aniline
CID 114547247
N-[(3-methylphenyl)methyl]-3-phenylcyclobutan-1-amine
CID 43632228
4-methyl-N-[2-(3-methylphenyl)ethyl]cyclohexan-1-amine
CID 62313168
3-methoxy-N-[(3-methylphenyl)methyl]cyclobutan-1-amine
CID 104587932
N-[(3-cyclopropylphenyl)methyl]-3-methylcyclohexan-1-amine
CID 79978765
2-[3-[[(3-methylcyclopentyl)amino]methyl]phenoxy]acetonitrile
CID 113243187

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-methyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine?
The IUPAC name of cis-(1R,3S)-3-methyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine (CID 95376410) is cis-(1R,3S)-3-methyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine.
What is the SMILES notation for cis-(1R,3S)-3-methyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine?
The canonical SMILES for cis-(1R,3S)-3-methyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine is Cc1cccc(CN[C@@H]2CC[C@H](C)C2)c1.
What is the InChIKey of cis-(1R,3S)-3-methyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine?
The InChIKey is IQHXHEJJPGJBMO-GXTWGEPZSA-N. The full InChI is InChI=1S/C14H21N/c1-11-4-3-5-13(8-11)10-15-14-7-6-12(2)9-14/h3-5,8,12,14-15H,6-7,9-10H2,1-2H3/t12-,14+/m0/s1.
What are the key properties of cis-(1R,3S)-3-methyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine?
cis-(1R,3S)-3-methyl-N-[(3-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-(1R,3S)-3-methyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 95376410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).