N-methyl-1-(2,4,6-trimethylphenyl)cyclohexan-1-amine

C16H25N — CID 82289384

IUPACN-methyl-1-(2,4,6-trimethylphenyl)cyclohexan-1-amine
SMILESCNC1(c2c(C)cc(C)cc2C)CCCCC1
InChIInChI=1S/C16H25N/c1-12-10-13(2)15(14(3)11-12)16(17-4)8-6-5-7-9-16/h10-11,17H,5-9H2,1-4H3
InChIKeyAOACLHYLXQGLKD-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.99
Rot. Bonds2

About N-methyl-1-(2,4,6-trimethylphenyl)cyclohexan-1-amine

N-methyl-1-(2,4,6-trimethylphenyl)cyclohexan-1-amine (PubChem CID 82289384) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-methyl-1-(2,4,6-trimethylphenyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(2,4,6-trimethylphenyl)cyclohexan-1-amine
PubChem CID82289384
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-methyl-1-(2,4,6-trimethylphenyl)cyclohexan-1-amine
SMILESCNC1(c2c(C)cc(C)cc2C)CCCCC1
InChIInChI=1S/C16H25N/c1-12-10-13(2)15(14(3)11-12)16(17-4)8-6-5-7-9-16/h10-11,17H,5-9H2,1-4H3
InChIKeyAOACLHYLXQGLKD-UHFFFAOYSA-N
XLogP3.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2,4,6-trimethylphenyl)cyclohexan-1-amine?
The IUPAC name of N-methyl-1-(2,4,6-trimethylphenyl)cyclohexan-1-amine (CID 82289384) is N-methyl-1-(2,4,6-trimethylphenyl)cyclohexan-1-amine.
What is the SMILES notation for N-methyl-1-(2,4,6-trimethylphenyl)cyclohexan-1-amine?
The canonical SMILES for N-methyl-1-(2,4,6-trimethylphenyl)cyclohexan-1-amine is CNC1(c2c(C)cc(C)cc2C)CCCCC1.
What is the InChIKey of N-methyl-1-(2,4,6-trimethylphenyl)cyclohexan-1-amine?
The InChIKey is AOACLHYLXQGLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-12-10-13(2)15(14(3)11-12)16(17-4)8-6-5-7-9-16/h10-11,17H,5-9H2,1-4H3.
What are the key properties of N-methyl-1-(2,4,6-trimethylphenyl)cyclohexan-1-amine?
N-methyl-1-(2,4,6-trimethylphenyl)cyclohexan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2,4,6-trimethylphenyl)cyclohexan-1-amine is sourced from PubChem (CID 82289384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).