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

C18H29N — CID 63453897

IUPAC4-ethyl-N-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine
SMILESCCC1CCC(NCc2c(C)cc(C)cc2C)CC1
InChIInChI=1S/C18H29N/c1-5-16-6-8-17(9-7-16)19-12-18-14(3)10-13(2)11-15(18)4/h10-11,16-17,19H,5-9,12H2,1-4H3
InChIKeyPWILHMLYCJUQGI-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.67
Rot. Bonds4

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

4-ethyl-N-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine (PubChem CID 63453897) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 4-ethyl-N-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-N-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine
PubChem CID63453897
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name4-ethyl-N-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine
SMILESCCC1CCC(NCc2c(C)cc(C)cc2C)CC1
InChIInChI=1S/C18H29N/c1-5-16-6-8-17(9-7-16)19-12-18-14(3)10-13(2)11-15(18)4/h10-11,16-17,19H,5-9,12H2,1-4H3
InChIKeyPWILHMLYCJUQGI-UHFFFAOYSA-N
XLogP4.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,4,6-trimethylphenyl)methyl]cyclohexanamine
CID 43082188
1,1-dioxo-N-[(2,4,6-trimethylphenyl)methyl]thian-4-amine
CID 43614931
4-ethyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine
CID 43078853
N-[(2,6-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 63454775
3,3-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine
CID 114544213
4-ethyl-N-[(4-fluoro-3-methylphenyl)methyl]cyclohexan-1-amine
CID 63453712
N-[(4-bromo-3-methylphenyl)methyl]-4-ethylcyclohexan-1-amine
CID 66473412
N-[(3,5-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 63456354
1-(2,2,2-trifluoroethyl)-N-[(2,4,6-trimethylphenyl)methyl]piperidin-4-amine
CID 119107086
4-[[(4-ethylcyclohexyl)amino]methyl]-3,5-difluorobenzonitrile
CID 107038168
N-[(2-methoxy-4,6-dimethylphenyl)methyl]cyclobutanamine
CID 82493926
4-ethyl-N-methyl-2-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine
CID 63403275

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-ethyl-N-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine (CID 63453897) is 4-ethyl-N-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-N-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-ethyl-N-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine is CCC1CCC(NCc2c(C)cc(C)cc2C)CC1.
What is the InChIKey of 4-ethyl-N-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine?
The InChIKey is PWILHMLYCJUQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-5-16-6-8-17(9-7-16)19-12-18-14(3)10-13(2)11-15(18)4/h10-11,16-17,19H,5-9,12H2,1-4H3.
What are the key properties of 4-ethyl-N-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine?
4-ethyl-N-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 63453897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).