1-[2-amino-5-[(2-methylcycloheptyl)amino]phenyl]ethanone

C16H24N2O — CID 104612930

IUPAC1-[2-amino-5-[(2-methylcycloheptyl)amino]phenyl]ethanone
SMILESCC(=O)c1cc(NC2CCCCCC2C)ccc1N
InChIInChI=1S/C16H24N2O/c1-11-6-4-3-5-7-16(11)18-13-8-9-15(17)14(10-13)12(2)19/h8-11,16,18H,3-7,17H2,1-2H3
InChIKeyLDKCOJKHPGUIMO-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.85
Rot. Bonds3

About 1-[2-amino-5-[(2-methylcycloheptyl)amino]phenyl]ethanone

1-[2-amino-5-[(2-methylcycloheptyl)amino]phenyl]ethanone (PubChem CID 104612930) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[2-amino-5-[(2-methylcycloheptyl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-5-[(2-methylcycloheptyl)amino]phenyl]ethanone
PubChem CID104612930
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-[2-amino-5-[(2-methylcycloheptyl)amino]phenyl]ethanone
SMILESCC(=O)c1cc(NC2CCCCCC2C)ccc1N
InChIInChI=1S/C16H24N2O/c1-11-6-4-3-5-7-16(11)18-13-8-9-15(17)14(10-13)12(2)19/h8-11,16,18H,3-7,17H2,1-2H3
InChIKeyLDKCOJKHPGUIMO-UHFFFAOYSA-N
XLogP3.85
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-[2-amino-5-[(2-methylcycloheptyl)amino]phenyl]ethanone 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-N-(2-methylcyclohexyl)benzene-1,2,4-triamine
CID 106750255
2-chloro-5-[(2-methylcyclohexyl)amino]benzamide
CID 43713517
1-[2-amino-5-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)phenyl]ethanone
CID 104612560
1-[2-amino-5-(1-cyclopentylethylamino)phenyl]ethanone
CID 104612853
2-fluoro-5-[(2-methylcyclopentyl)amino]benzoic acid
CID 65044578
1-[2-amino-5-[(3,3-dimethylcyclohexyl)amino]phenyl]ethanone
CID 104613034
2-amino-5-(cyclooctylamino)benzoic acid
CID 60989029
4-methyl-1-N-(2-methylcyclopentyl)benzene-1,3-diamine
CID 63278049
3-[(2-methylcyclohexyl)amino]benzamide
CID 43202841
1-[2-amino-5-(oxolan-3-ylamino)phenyl]ethanone
CID 104613018
methyl 2-amino-5-(cycloheptylamino)benzoate
CID 61305877
2-chloro-N,N-dimethyl-5-[(2-methylcyclopentyl)amino]benzamide
CID 65044373

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-5-[(2-methylcycloheptyl)amino]phenyl]ethanone?
The IUPAC name of 1-[2-amino-5-[(2-methylcycloheptyl)amino]phenyl]ethanone (CID 104612930) is 1-[2-amino-5-[(2-methylcycloheptyl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[2-amino-5-[(2-methylcycloheptyl)amino]phenyl]ethanone?
The canonical SMILES for 1-[2-amino-5-[(2-methylcycloheptyl)amino]phenyl]ethanone is CC(=O)c1cc(NC2CCCCCC2C)ccc1N.
What is the InChIKey of 1-[2-amino-5-[(2-methylcycloheptyl)amino]phenyl]ethanone?
The InChIKey is LDKCOJKHPGUIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11-6-4-3-5-7-16(11)18-13-8-9-15(17)14(10-13)12(2)19/h8-11,16,18H,3-7,17H2,1-2H3.
What are the key properties of 1-[2-amino-5-[(2-methylcycloheptyl)amino]phenyl]ethanone?
1-[2-amino-5-[(2-methylcycloheptyl)amino]phenyl]ethanone has a molecular weight of 260.38 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-5-[(2-methylcycloheptyl)amino]phenyl]ethanone is sourced from PubChem (CID 104612930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).