4-[cyclopropyl(3-methylbutyl)amino]cyclohexan-1-one

C14H25NO — CID 114762136

IUPAC4-[cyclopropyl(3-methylbutyl)amino]cyclohexan-1-one
SMILESCC(C)CCN(C1CCC(=O)CC1)C1CC1
InChIInChI=1S/C14H25NO/c1-11(2)9-10-15(12-3-4-12)13-5-7-14(16)8-6-13/h11-13H,3-10H2,1-2H3
InChIKeyBNPKFVUGEGLTRZ-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.01
Rot. Bonds5

About 4-[cyclopropyl(3-methylbutyl)amino]cyclohexan-1-one

4-[cyclopropyl(3-methylbutyl)amino]cyclohexan-1-one (PubChem CID 114762136) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 4-[cyclopropyl(3-methylbutyl)amino]cyclohexan-1-one.

Molecular Properties

Compound Name4-[cyclopropyl(3-methylbutyl)amino]cyclohexan-1-one
PubChem CID114762136
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name4-[cyclopropyl(3-methylbutyl)amino]cyclohexan-1-one
SMILESCC(C)CCN(C1CCC(=O)CC1)C1CC1
InChIInChI=1S/C14H25NO/c1-11(2)9-10-15(12-3-4-12)13-5-7-14(16)8-6-13/h11-13H,3-10H2,1-2H3
InChIKeyBNPKFVUGEGLTRZ-UHFFFAOYSA-N
XLogP3.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[cyclopropyl(3-methylbutyl)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-[bis(3-methylbutyl)amino]cyclohexan-1-one
CID 114011303
3-[bis(2-methylpropyl)amino]cyclopentan-1-one
CID 79643153
3-[cyclopropyl(3-methylbutyl)amino]cyclohexan-1-ol
CID 79617786
3-[2-methylpropyl-(4-oxocyclohexyl)amino]propanenitrile
CID 114762152
3-[cyclopropyl(ethyl)amino]cyclopentan-1-one
CID 79642440
4-[cyclohexyl(ethyl)amino]cyclohexan-1-one
CID 114761997
4-[methyl(4-methylpentan-2-yl)amino]cyclohexan-1-one
CID 114762129
1-[2-[cyclopropyl(3-methylbutyl)amino]acetyl]piperidin-4-one
CID 78974180
4-[1-cyclopropylethyl(methyl)amino]cyclohexan-1-one
CID 114762043
2-[cyclopropyl(3-methylbutyl)amino]cyclopentan-1-ol
CID 78974485
2-methyl-3-[methyl-(4-oxocyclohexyl)amino]propanenitrile
CID 114762118
4-(2-methylpropyl)cyclohexan-1-one
CID 14740079

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(3-methylbutyl)amino]cyclohexan-1-one?
The IUPAC name of 4-[cyclopropyl(3-methylbutyl)amino]cyclohexan-1-one (CID 114762136) is 4-[cyclopropyl(3-methylbutyl)amino]cyclohexan-1-one.
What is the SMILES notation for 4-[cyclopropyl(3-methylbutyl)amino]cyclohexan-1-one?
The canonical SMILES for 4-[cyclopropyl(3-methylbutyl)amino]cyclohexan-1-one is CC(C)CCN(C1CCC(=O)CC1)C1CC1.
What is the InChIKey of 4-[cyclopropyl(3-methylbutyl)amino]cyclohexan-1-one?
The InChIKey is BNPKFVUGEGLTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-11(2)9-10-15(12-3-4-12)13-5-7-14(16)8-6-13/h11-13H,3-10H2,1-2H3.
What are the key properties of 4-[cyclopropyl(3-methylbutyl)amino]cyclohexan-1-one?
4-[cyclopropyl(3-methylbutyl)amino]cyclohexan-1-one has a molecular weight of 223.36 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(3-methylbutyl)amino]cyclohexan-1-one is sourced from PubChem (CID 114762136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).