(4-aminophenyl)-(4,4-dimethylazepan-1-yl)methanone

C15H22N2O — CID 65283849

IUPAC(4-aminophenyl)-(4,4-dimethylazepan-1-yl)methanone
SMILESCC1(C)CCCN(C(=O)c2ccc(N)cc2)CC1
InChIInChI=1S/C15H22N2O/c1-15(2)8-3-10-17(11-9-15)14(18)12-4-6-13(16)7-5-12/h4-7H,3,8-11,16H2,1-2H3
InChIKeyLRDQRGIRRVBPLO-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.92
Rot. Bonds1

About (4-aminophenyl)-(4,4-dimethylazepan-1-yl)methanone

(4-aminophenyl)-(4,4-dimethylazepan-1-yl)methanone (PubChem CID 65283849) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (4-aminophenyl)-(4,4-dimethylazepan-1-yl)methanone.

Molecular Properties

Compound Name(4-aminophenyl)-(4,4-dimethylazepan-1-yl)methanone
PubChem CID65283849
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(4-aminophenyl)-(4,4-dimethylazepan-1-yl)methanone
SMILESCC1(C)CCCN(C(=O)c2ccc(N)cc2)CC1
InChIInChI=1S/C15H22N2O/c1-15(2)8-3-10-17(11-9-15)14(18)12-4-6-13(16)7-5-12/h4-7H,3,8-11,16H2,1-2H3
InChIKeyLRDQRGIRRVBPLO-UHFFFAOYSA-N
XLogP2.92
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4-aminophenyl)-(4,4-dimethylazepan-1-yl)methanone 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

(3-aminophenyl)-(4,4-dimethylazepan-1-yl)methanone;hydrochloride
CID 119803719
[4-(3-aminoprop-1-ynyl)phenyl]-(4,4-dimethylazepan-1-yl)methanone
CID 65281832
(4-aminophenyl)-(azepan-1-yl)methanone;hydrochloride
CID 119669539
(5-amino-1-benzofuran-2-yl)-(4,4-dimethylazepan-1-yl)methanone
CID 65283899
(4,4-dimethylazepan-1-yl)-(4-hydrazinyl-3-methylphenyl)methanone
CID 65286838
(4,4-dimethylpiperidin-1-yl)-pyridin-4-ylmethanone
CID 110738617
(4-bromo-3-fluorophenyl)-(4,4-dimethylazepan-1-yl)methanone
CID 65282660
(3-chloro-4-iodophenyl)-(4,4-dimethylazepan-1-yl)methanone
CID 103222128
(4-hydroxy-4-methylazepan-1-yl)-(4-sulfanylphenyl)methanone
CID 107408930
1-(4-aminobenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63144123
[4-(aminomethyl)phenyl]-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107403497
(3-amino-5-ethoxyphenyl)-(4,4-dimethylazepan-1-yl)methanone
CID 81094273

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-(4,4-dimethylazepan-1-yl)methanone?
The IUPAC name of (4-aminophenyl)-(4,4-dimethylazepan-1-yl)methanone (CID 65283849) is (4-aminophenyl)-(4,4-dimethylazepan-1-yl)methanone.
What is the SMILES notation for (4-aminophenyl)-(4,4-dimethylazepan-1-yl)methanone?
The canonical SMILES for (4-aminophenyl)-(4,4-dimethylazepan-1-yl)methanone is CC1(C)CCCN(C(=O)c2ccc(N)cc2)CC1.
What is the InChIKey of (4-aminophenyl)-(4,4-dimethylazepan-1-yl)methanone?
The InChIKey is LRDQRGIRRVBPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-15(2)8-3-10-17(11-9-15)14(18)12-4-6-13(16)7-5-12/h4-7H,3,8-11,16H2,1-2H3.
What are the key properties of (4-aminophenyl)-(4,4-dimethylazepan-1-yl)methanone?
(4-aminophenyl)-(4,4-dimethylazepan-1-yl)methanone has a molecular weight of 246.35 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-(4,4-dimethylazepan-1-yl)methanone is sourced from PubChem (CID 65283849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).