4-[amino-(2,4,6-trimethylphenyl)methyl]-N-methylcyclohexan-1-amine

C17H28N2 — CID 116937242

IUPAC4-[amino-(2,4,6-trimethylphenyl)methyl]-N-methylcyclohexan-1-amine
SMILESCNC1CCC(C(N)c2c(C)cc(C)cc2C)CC1
InChIInChI=1S/C17H28N2/c1-11-9-12(2)16(13(3)10-11)17(18)14-5-7-15(19-4)8-6-14/h9-10,14-15,17,19H,5-8,18H2,1-4H3
InChIKeyPLZCKDRUYBKZPP-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.39
Rot. Bonds3

About 4-[amino-(2,4,6-trimethylphenyl)methyl]-N-methylcyclohexan-1-amine

4-[amino-(2,4,6-trimethylphenyl)methyl]-N-methylcyclohexan-1-amine (PubChem CID 116937242) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 4-[amino-(2,4,6-trimethylphenyl)methyl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[amino-(2,4,6-trimethylphenyl)methyl]-N-methylcyclohexan-1-amine
PubChem CID116937242
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name4-[amino-(2,4,6-trimethylphenyl)methyl]-N-methylcyclohexan-1-amine
SMILESCNC1CCC(C(N)c2c(C)cc(C)cc2C)CC1
InChIInChI=1S/C17H28N2/c1-11-9-12(2)16(13(3)10-11)17(18)14-5-7-15(19-4)8-6-14/h9-10,14-15,17,19H,5-8,18H2,1-4H3
InChIKeyPLZCKDRUYBKZPP-UHFFFAOYSA-N
XLogP3.39
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-cyclohexyl-(2,4,6-trimethylphenyl)methanamine
CID 92649968
cycloheptyl-(2,4,6-trimethylphenyl)methanamine
CID 63522004
4-[amino-(2,4-dimethylphenyl)methyl]-N-methylcyclohexan-1-amine
CID 116937234
(4-tert-butylcyclohexyl)-(2,4,6-trimethylphenyl)methanamine
CID 63522356
2-[(R)-amino(cyclopropyl)methyl]-3,5-dimethylphenol
CID 130674108
(3,4-dimethylcyclohexyl)-(2,4,6-trimethylphenyl)methanamine
CID 104989384
(R)-oxan-4-yl-(2,4,6-trimethylphenyl)methanamine;hydrochloride
CID 171248247
cyclobutyl-(2-methoxy-4,6-dimethylphenyl)methanamine
CID 82493927
cyclooctyl-(2-methoxy-4,6-dimethylphenyl)methanamine
CID 106680816
2-[(S)-amino(cyclopropyl)methyl]-5-methylbenzene-1,3-diol
CID 130727329
2-cyclopropyl-1-(2,4,6-trimethylphenyl)propan-1-amine
CID 83154874
(4-tert-butylcyclohexyl)-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106881648

Frequently Asked Questions

What is the IUPAC name of 4-[amino-(2,4,6-trimethylphenyl)methyl]-N-methylcyclohexan-1-amine?
The IUPAC name of 4-[amino-(2,4,6-trimethylphenyl)methyl]-N-methylcyclohexan-1-amine (CID 116937242) is 4-[amino-(2,4,6-trimethylphenyl)methyl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-[amino-(2,4,6-trimethylphenyl)methyl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-[amino-(2,4,6-trimethylphenyl)methyl]-N-methylcyclohexan-1-amine is CNC1CCC(C(N)c2c(C)cc(C)cc2C)CC1.
What is the InChIKey of 4-[amino-(2,4,6-trimethylphenyl)methyl]-N-methylcyclohexan-1-amine?
The InChIKey is PLZCKDRUYBKZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-11-9-12(2)16(13(3)10-11)17(18)14-5-7-15(19-4)8-6-14/h9-10,14-15,17,19H,5-8,18H2,1-4H3.
What are the key properties of 4-[amino-(2,4,6-trimethylphenyl)methyl]-N-methylcyclohexan-1-amine?
4-[amino-(2,4,6-trimethylphenyl)methyl]-N-methylcyclohexan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino-(2,4,6-trimethylphenyl)methyl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 116937242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).