1-amino-1-(4-methylcyclohexyl)propan-2-one

C10H19NO — CID 21026133

IUPAC1-amino-1-(4-methylcyclohexyl)propan-2-one
SMILESCC(=O)C(N)C1CCC(C)CC1
InChIInChI=1S/C10H19NO/c1-7-3-5-9(6-4-7)10(11)8(2)12/h7,9-10H,3-6,11H2,1-2H3
InChIKeyIJMZYKIBYKQULB-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.73
Rot. Bonds2

About 1-amino-1-(4-methylcyclohexyl)propan-2-one

1-amino-1-(4-methylcyclohexyl)propan-2-one (PubChem CID 21026133) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-amino-1-(4-methylcyclohexyl)propan-2-one.

Molecular Properties

Compound Name1-amino-1-(4-methylcyclohexyl)propan-2-one
PubChem CID21026133
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-amino-1-(4-methylcyclohexyl)propan-2-one
SMILESCC(=O)C(N)C1CCC(C)CC1
InChIInChI=1S/C10H19NO/c1-7-3-5-9(6-4-7)10(11)8(2)12/h7,9-10H,3-6,11H2,1-2H3
InChIKeyIJMZYKIBYKQULB-UHFFFAOYSA-N
XLogP1.73
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-amino-1-(4-methylcyclohexyl)propan-2-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 1-amino-1-(4-methylcyclohexyl)propan-2-one?
The IUPAC name of 1-amino-1-(4-methylcyclohexyl)propan-2-one (CID 21026133) is 1-amino-1-(4-methylcyclohexyl)propan-2-one.
What is the SMILES notation for 1-amino-1-(4-methylcyclohexyl)propan-2-one?
The canonical SMILES for 1-amino-1-(4-methylcyclohexyl)propan-2-one is CC(=O)C(N)C1CCC(C)CC1.
What is the InChIKey of 1-amino-1-(4-methylcyclohexyl)propan-2-one?
The InChIKey is IJMZYKIBYKQULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-7-3-5-9(6-4-7)10(11)8(2)12/h7,9-10H,3-6,11H2,1-2H3.
What are the key properties of 1-amino-1-(4-methylcyclohexyl)propan-2-one?
1-amino-1-(4-methylcyclohexyl)propan-2-one has a molecular weight of 169.27 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(4-methylcyclohexyl)propan-2-one is sourced from PubChem (CID 21026133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).