4-[benzyl(cyclopropyl)amino]cyclohexan-1-one

C16H21NO — CID 114762048

IUPAC4-[benzyl(cyclopropyl)amino]cyclohexan-1-one
SMILESO=C1CCC(N(Cc2ccccc2)C2CC2)CC1
InChIInChI=1S/C16H21NO/c18-16-10-8-15(9-11-16)17(14-6-7-14)12-13-4-2-1-3-5-13/h1-5,14-15H,6-12H2
InChIKeyYCOYBIYMPHEKKD-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.16
Rot. Bonds4

About 4-[benzyl(cyclopropyl)amino]cyclohexan-1-one

4-[benzyl(cyclopropyl)amino]cyclohexan-1-one (PubChem CID 114762048) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-[benzyl(cyclopropyl)amino]cyclohexan-1-one.

Molecular Properties

Compound Name4-[benzyl(cyclopropyl)amino]cyclohexan-1-one
PubChem CID114762048
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name4-[benzyl(cyclopropyl)amino]cyclohexan-1-one
SMILESO=C1CCC(N(Cc2ccccc2)C2CC2)CC1
InChIInChI=1S/C16H21NO/c18-16-10-8-15(9-11-16)17(14-6-7-14)12-13-4-2-1-3-5-13/h1-5,14-15H,6-12H2
InChIKeyYCOYBIYMPHEKKD-UHFFFAOYSA-N
XLogP3.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[benzyl(cyclopropyl)amino]cyclohexan-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

Related Compounds

4-(dibenzylamino)cyclohexan-1-one;N,N-dibenzyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 159434251
N-benzyl-N-cyclopropyl-6-methylpiperidin-3-amine
CID 131227693
(3R)-N-benzyl-N-cyclopropylpiperidin-3-amine
CID 66569431
1-[3-[benzyl(cyclopropyl)amino]pyrrolidin-1-yl]-2-chloroethanone
CID 66567085
4-(2-phenylethyl)cyclohexan-1-one
CID 18980498
trans-(2R,4R)-4-(dibenzylamino)-2-methylcyclohexan-1-one
CID 66937152
6-(dibenzylamino)azepan-4-one
CID 122416944
4-(dibenzylamino)-2-methylcyclohexan-1-one
CID 77201422
4-[methyl(naphthalen-2-ylmethyl)amino]cyclohexan-1-one
CID 117039753
(2S)-2-amino-N-[4-[benzyl(cyclopropyl)amino]cyclohexyl]-3-methylbutanamide
CID 66567247
N-[[4-(aminomethyl)phenyl]methyl]-N-benzylcyclopropanamine
CID 43575847
N-benzyl-2-[methyl-(4-oxocyclohexyl)amino]acetamide
CID 79119765

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(cyclopropyl)amino]cyclohexan-1-one?
The IUPAC name of 4-[benzyl(cyclopropyl)amino]cyclohexan-1-one (CID 114762048) is 4-[benzyl(cyclopropyl)amino]cyclohexan-1-one.
What is the SMILES notation for 4-[benzyl(cyclopropyl)amino]cyclohexan-1-one?
The canonical SMILES for 4-[benzyl(cyclopropyl)amino]cyclohexan-1-one is O=C1CCC(N(Cc2ccccc2)C2CC2)CC1.
What is the InChIKey of 4-[benzyl(cyclopropyl)amino]cyclohexan-1-one?
The InChIKey is YCOYBIYMPHEKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c18-16-10-8-15(9-11-16)17(14-6-7-14)12-13-4-2-1-3-5-13/h1-5,14-15H,6-12H2.
What are the key properties of 4-[benzyl(cyclopropyl)amino]cyclohexan-1-one?
4-[benzyl(cyclopropyl)amino]cyclohexan-1-one has a molecular weight of 243.35 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(cyclopropyl)amino]cyclohexan-1-one is sourced from PubChem (CID 114762048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).