2-[[butan-2-yl(ethyl)amino]methyl]-4-methylcyclohexan-1-one

C14H27NO — CID 62612028

IUPAC2-[[butan-2-yl(ethyl)amino]methyl]-4-methylcyclohexan-1-one
SMILESCCC(C)N(CC)CC1CC(C)CCC1=O
InChIInChI=1S/C14H27NO/c1-5-12(4)15(6-2)10-13-9-11(3)7-8-14(13)16/h11-13H,5-10H2,1-4H3
InChIKeyGVTUQNLOLJXXRN-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.11
Rot. Bonds5

About 2-[[butan-2-yl(ethyl)amino]methyl]-4-methylcyclohexan-1-one

2-[[butan-2-yl(ethyl)amino]methyl]-4-methylcyclohexan-1-one (PubChem CID 62612028) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-[[butan-2-yl(ethyl)amino]methyl]-4-methylcyclohexan-1-one.

Molecular Properties

Compound Name2-[[butan-2-yl(ethyl)amino]methyl]-4-methylcyclohexan-1-one
PubChem CID62612028
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2-[[butan-2-yl(ethyl)amino]methyl]-4-methylcyclohexan-1-one
SMILESCCC(C)N(CC)CC1CC(C)CCC1=O
InChIInChI=1S/C14H27NO/c1-5-12(4)15(6-2)10-13-9-11(3)7-8-14(13)16/h11-13H,5-10H2,1-4H3
InChIKeyGVTUQNLOLJXXRN-UHFFFAOYSA-N
XLogP3.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[[butan-2-yl(ethyl)amino]methyl]-4-methylcyclohexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[butan-2-yl(ethyl)amino]methyl]-4-methylcyclohexan-1-one?
The IUPAC name of 2-[[butan-2-yl(ethyl)amino]methyl]-4-methylcyclohexan-1-one (CID 62612028) is 2-[[butan-2-yl(ethyl)amino]methyl]-4-methylcyclohexan-1-one.
What is the SMILES notation for 2-[[butan-2-yl(ethyl)amino]methyl]-4-methylcyclohexan-1-one?
The canonical SMILES for 2-[[butan-2-yl(ethyl)amino]methyl]-4-methylcyclohexan-1-one is CCC(C)N(CC)CC1CC(C)CCC1=O.
What is the InChIKey of 2-[[butan-2-yl(ethyl)amino]methyl]-4-methylcyclohexan-1-one?
The InChIKey is GVTUQNLOLJXXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-5-12(4)15(6-2)10-13-9-11(3)7-8-14(13)16/h11-13H,5-10H2,1-4H3.
What are the key properties of 2-[[butan-2-yl(ethyl)amino]methyl]-4-methylcyclohexan-1-one?
2-[[butan-2-yl(ethyl)amino]methyl]-4-methylcyclohexan-1-one has a molecular weight of 225.38 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butan-2-yl(ethyl)amino]methyl]-4-methylcyclohexan-1-one is sourced from PubChem (CID 62612028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).