3-[(3-methylphenyl)methyl]cycloheptan-1-amine

C15H23N — CID 64504844

IUPAC3-[(3-methylphenyl)methyl]cycloheptan-1-amine
SMILESCc1cccc(CC2CCCCC(N)C2)c1
InChIInChI=1S/C15H23N/c1-12-5-4-7-13(9-12)10-14-6-2-3-8-15(16)11-14/h4-5,7,9,14-15H,2-3,6,8,10-11,16H2,1H3
InChIKeyUZMHSLIWMJHKSA-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.45
Rot. Bonds2

About 3-[(3-methylphenyl)methyl]cycloheptan-1-amine

3-[(3-methylphenyl)methyl]cycloheptan-1-amine (PubChem CID 64504844) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 3-[(3-methylphenyl)methyl]cycloheptan-1-amine.

Molecular Properties

Compound Name3-[(3-methylphenyl)methyl]cycloheptan-1-amine
PubChem CID64504844
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name3-[(3-methylphenyl)methyl]cycloheptan-1-amine
SMILESCc1cccc(CC2CCCCC(N)C2)c1
InChIInChI=1S/C15H23N/c1-12-5-4-7-13(9-12)10-14-6-2-3-8-15(16)11-14/h4-5,7,9,14-15H,2-3,6,8,10-11,16H2,1H3
InChIKeyUZMHSLIWMJHKSA-UHFFFAOYSA-N
XLogP3.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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3-[(3-methylphenyl)methyl]piperidine
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(3S)-3-[(3-methylphenyl)methyl]piperidine
CID 39345685
(3R)-3-benzylcyclohexan-1-amine
CID 168960646
3-[(3-methylphenyl)methyl]pyrrolidine
CID 55252909
3-[(3-methylphenyl)methyl]cyclohexan-1-one
CID 64520140
3-(pyridin-3-ylmethyl)cycloheptan-1-amine
CID 104736993
4-[(3-aminocycloheptyl)methyl]pyridin-2-amine
CID 64505796
1-(cyclononylmethyl)-6-methylcyclodeca-1,3,5,7,9-pentaene
CID 91363627
N-[(3-aminocyclohexyl)methyl]-3-methylbenzenesulfonamide
CID 106126034
1-methyl-3-[[4-(4-methylcyclohexyl)cyclohexyl]methyl]benzene
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Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylphenyl)methyl]cycloheptan-1-amine?
The IUPAC name of 3-[(3-methylphenyl)methyl]cycloheptan-1-amine (CID 64504844) is 3-[(3-methylphenyl)methyl]cycloheptan-1-amine.
What is the SMILES notation for 3-[(3-methylphenyl)methyl]cycloheptan-1-amine?
The canonical SMILES for 3-[(3-methylphenyl)methyl]cycloheptan-1-amine is Cc1cccc(CC2CCCCC(N)C2)c1.
What is the InChIKey of 3-[(3-methylphenyl)methyl]cycloheptan-1-amine?
The InChIKey is UZMHSLIWMJHKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-12-5-4-7-13(9-12)10-14-6-2-3-8-15(16)11-14/h4-5,7,9,14-15H,2-3,6,8,10-11,16H2,1H3.
What are the key properties of 3-[(3-methylphenyl)methyl]cycloheptan-1-amine?
3-[(3-methylphenyl)methyl]cycloheptan-1-amine has a molecular weight of 217.36 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylphenyl)methyl]cycloheptan-1-amine is sourced from PubChem (CID 64504844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).