2-[[benzyl(propan-2-yl)amino]methyl]-4-methylcyclohexan-1-one

C18H27NO — CID 62613344

IUPAC2-[[benzyl(propan-2-yl)amino]methyl]-4-methylcyclohexan-1-one
SMILESCC1CCC(=O)C(CN(Cc2ccccc2)C(C)C)C1
InChIInChI=1S/C18H27NO/c1-14(2)19(12-16-7-5-4-6-8-16)13-17-11-15(3)9-10-18(17)20/h4-8,14-15,17H,9-13H2,1-3H3
InChIKeyAHTFUKQNJPIKGZ-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.90
Rot. Bonds5

About 2-[[benzyl(propan-2-yl)amino]methyl]-4-methylcyclohexan-1-one

2-[[benzyl(propan-2-yl)amino]methyl]-4-methylcyclohexan-1-one (PubChem CID 62613344) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-[[benzyl(propan-2-yl)amino]methyl]-4-methylcyclohexan-1-one.

Molecular Properties

Compound Name2-[[benzyl(propan-2-yl)amino]methyl]-4-methylcyclohexan-1-one
PubChem CID62613344
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name2-[[benzyl(propan-2-yl)amino]methyl]-4-methylcyclohexan-1-one
SMILESCC1CCC(=O)C(CN(Cc2ccccc2)C(C)C)C1
InChIInChI=1S/C18H27NO/c1-14(2)19(12-16-7-5-4-6-8-16)13-17-11-15(3)9-10-18(17)20/h4-8,14-15,17H,9-13H2,1-3H3
InChIKeyAHTFUKQNJPIKGZ-UHFFFAOYSA-N
XLogP3.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[benzyl(propan-2-yl)amino]methyl]-4-methylcyclohexan-1-one?
The IUPAC name of 2-[[benzyl(propan-2-yl)amino]methyl]-4-methylcyclohexan-1-one (CID 62613344) is 2-[[benzyl(propan-2-yl)amino]methyl]-4-methylcyclohexan-1-one.
What is the SMILES notation for 2-[[benzyl(propan-2-yl)amino]methyl]-4-methylcyclohexan-1-one?
The canonical SMILES for 2-[[benzyl(propan-2-yl)amino]methyl]-4-methylcyclohexan-1-one is CC1CCC(=O)C(CN(Cc2ccccc2)C(C)C)C1.
What is the InChIKey of 2-[[benzyl(propan-2-yl)amino]methyl]-4-methylcyclohexan-1-one?
The InChIKey is AHTFUKQNJPIKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-14(2)19(12-16-7-5-4-6-8-16)13-17-11-15(3)9-10-18(17)20/h4-8,14-15,17H,9-13H2,1-3H3.
What are the key properties of 2-[[benzyl(propan-2-yl)amino]methyl]-4-methylcyclohexan-1-one?
2-[[benzyl(propan-2-yl)amino]methyl]-4-methylcyclohexan-1-one has a molecular weight of 273.42 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[benzyl(propan-2-yl)amino]methyl]-4-methylcyclohexan-1-one is sourced from PubChem (CID 62613344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).