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

C19H31N — CID 63403275

IUPAC4-ethyl-N-methyl-2-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine
SMILESCCC1CCC(NC)C(Cc2c(C)cc(C)cc2C)C1
InChIInChI=1S/C19H31N/c1-6-16-7-8-19(20-5)17(11-16)12-18-14(3)9-13(2)10-15(18)4/h9-10,16-17,19-20H,6-8,11-12H2,1-5H3
InChIKeyALTFTXWVXKHNNV-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.57
Rot. Bonds4

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

4-ethyl-N-methyl-2-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine (PubChem CID 63403275) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 4-ethyl-N-methyl-2-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-N-methyl-2-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine
PubChem CID63403275
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name4-ethyl-N-methyl-2-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine
SMILESCCC1CCC(NC)C(Cc2c(C)cc(C)cc2C)C1
InChIInChI=1S/C19H31N/c1-6-16-7-8-19(20-5)17(11-16)12-18-14(3)9-13(2)10-15(18)4/h9-10,16-17,19-20H,6-8,11-12H2,1-5H3
InChIKeyALTFTXWVXKHNNV-UHFFFAOYSA-N
XLogP4.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-methyl-2-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-ethyl-N-methyl-2-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine (CID 63403275) is 4-ethyl-N-methyl-2-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-N-methyl-2-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-ethyl-N-methyl-2-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine is CCC1CCC(NC)C(Cc2c(C)cc(C)cc2C)C1.
What is the InChIKey of 4-ethyl-N-methyl-2-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine?
The InChIKey is ALTFTXWVXKHNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-6-16-7-8-19(20-5)17(11-16)12-18-14(3)9-13(2)10-15(18)4/h9-10,16-17,19-20H,6-8,11-12H2,1-5H3.
What are the key properties of 4-ethyl-N-methyl-2-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine?
4-ethyl-N-methyl-2-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine has a molecular weight of 273.46 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-methyl-2-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 63403275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).