3,4-dimethyl-N-[(3-methylphenyl)methyl]cyclohexan-1-amine

C16H25N — CID 64731806

IUPAC3,4-dimethyl-N-[(3-methylphenyl)methyl]cyclohexan-1-amine
SMILESCc1cccc(CNC2CCC(C)C(C)C2)c1
InChIInChI=1S/C16H25N/c1-12-5-4-6-15(9-12)11-17-16-8-7-13(2)14(3)10-16/h4-6,9,13-14,16-17H,7-8,10-11H2,1-3H3
InChIKeyGITYEEQYZZYOQS-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.91
Rot. Bonds3

About 3,4-dimethyl-N-[(3-methylphenyl)methyl]cyclohexan-1-amine

3,4-dimethyl-N-[(3-methylphenyl)methyl]cyclohexan-1-amine (PubChem CID 64731806) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 3,4-dimethyl-N-[(3-methylphenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3,4-dimethyl-N-[(3-methylphenyl)methyl]cyclohexan-1-amine
PubChem CID64731806
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name3,4-dimethyl-N-[(3-methylphenyl)methyl]cyclohexan-1-amine
SMILESCc1cccc(CNC2CCC(C)C(C)C2)c1
InChIInChI=1S/C16H25N/c1-12-5-4-6-15(9-12)11-17-16-8-7-13(2)14(3)10-16/h4-6,9,13-14,16-17H,7-8,10-11H2,1-3H3
InChIKeyGITYEEQYZZYOQS-UHFFFAOYSA-N
XLogP3.91
TPSA12.03 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 ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[(3-methylphenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 3,4-dimethyl-N-[(3-methylphenyl)methyl]cyclohexan-1-amine (CID 64731806) is 3,4-dimethyl-N-[(3-methylphenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 3,4-dimethyl-N-[(3-methylphenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 3,4-dimethyl-N-[(3-methylphenyl)methyl]cyclohexan-1-amine is Cc1cccc(CNC2CCC(C)C(C)C2)c1.
What is the InChIKey of 3,4-dimethyl-N-[(3-methylphenyl)methyl]cyclohexan-1-amine?
The InChIKey is GITYEEQYZZYOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-12-5-4-6-15(9-12)11-17-16-8-7-13(2)14(3)10-16/h4-6,9,13-14,16-17H,7-8,10-11H2,1-3H3.
What are the key properties of 3,4-dimethyl-N-[(3-methylphenyl)methyl]cyclohexan-1-amine?
3,4-dimethyl-N-[(3-methylphenyl)methyl]cyclohexan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[(3-methylphenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 64731806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).