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

C17H27N — CID 63408341

IUPAC2-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine
SMILESCc1cc(C)c(CC2(N)CCCCC2C)c(C)c1
InChIInChI=1S/C17H27N/c1-12-9-13(2)16(14(3)10-12)11-17(18)8-6-5-7-15(17)4/h9-10,15H,5-8,11,18H2,1-4H3
InChIKeyPQJDWDYKGJBTKN-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.06
Rot. Bonds2

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

2-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine (PubChem CID 63408341) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 2-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine
PubChem CID63408341
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name2-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine
SMILESCc1cc(C)c(CC2(N)CCCCC2C)c(C)c1
InChIInChI=1S/C17H27N/c1-12-9-13(2)16(14(3)10-12)11-17(18)8-6-5-7-15(17)4/h9-10,15H,5-8,11,18H2,1-4H3
InChIKeyPQJDWDYKGJBTKN-UHFFFAOYSA-N
XLogP4.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 2-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine (CID 63408341) is 2-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine is Cc1cc(C)c(CC2(N)CCCCC2C)c(C)c1.
What is the InChIKey of 2-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine?
The InChIKey is PQJDWDYKGJBTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-12-9-13(2)16(14(3)10-12)11-17(18)8-6-5-7-15(17)4/h9-10,15H,5-8,11,18H2,1-4H3.
What are the key properties of 2-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine?
2-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 63408341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).