1-(aminomethyl)-N-(4-methoxyphenyl)-4,4-dimethylcycloheptan-1-amine

C17H28N2O — CID 65385792

IUPAC1-(aminomethyl)-N-(4-methoxyphenyl)-4,4-dimethylcycloheptan-1-amine
SMILESCOc1ccc(NC2(CN)CCCC(C)(C)CC2)cc1
InChIInChI=1S/C17H28N2O/c1-16(2)9-4-10-17(13-18,12-11-16)19-14-5-7-15(20-3)8-6-14/h5-8,19H,4,9-13,18H2,1-3H3
InChIKeySHCNAIDYDXJHEJ-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.79
Rot. Bonds4

About 1-(aminomethyl)-N-(4-methoxyphenyl)-4,4-dimethylcycloheptan-1-amine

1-(aminomethyl)-N-(4-methoxyphenyl)-4,4-dimethylcycloheptan-1-amine (PubChem CID 65385792) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(4-methoxyphenyl)-4,4-dimethylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(4-methoxyphenyl)-4,4-dimethylcycloheptan-1-amine
PubChem CID65385792
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-(aminomethyl)-N-(4-methoxyphenyl)-4,4-dimethylcycloheptan-1-amine
SMILESCOc1ccc(NC2(CN)CCCC(C)(C)CC2)cc1
InChIInChI=1S/C17H28N2O/c1-16(2)9-4-10-17(13-18,12-11-16)19-14-5-7-15(20-3)8-6-14/h5-8,19H,4,9-13,18H2,1-3H3
InChIKeySHCNAIDYDXJHEJ-UHFFFAOYSA-N
XLogP3.79
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 1-(aminomethyl)-N-(4-methoxyphenyl)-4,4-dimethylcycloheptan-1-amine 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

1-(aminomethyl)-N-(4-methoxyphenyl)cyclooctan-1-amine
CID 65383457
N-[1-(aminomethyl)-3,3,5,5-tetramethylcyclohexyl]-4-methoxyaniline
CID 115999128
3-(aminomethyl)-N-(4-methoxyphenyl)piperidin-3-amine
CID 105496857
N-[1-(aminomethyl)-3-propan-2-ylcyclohexyl]-4-methoxyaniline
CID 107449144
N-[1-(aminomethyl)-2,2-dimethylcyclopentyl]-4-methoxyaniline
CID 79857246
N-[1-(aminomethyl)cyclopentyl]-4-methylaniline
CID 65379015
[3-cyclopropyl-1-(4-methoxyanilino)cyclohexyl]methanol
CID 64624867
1-(aminomethyl)-N-(4-chlorophenyl)cyclooctan-1-amine
CID 65382773
8-(aminomethyl)-N-(4-methylphenyl)spiro[4.5]decan-8-amine
CID 114818195
[4-(4-methoxyanilino)oxepan-4-yl]methanol
CID 65080606
3-(aminomethyl)-N-(4-methoxyphenyl)-4,4-dimethylthian-3-amine
CID 79947900
N-[1-(aminomethyl)cyclopentyl]-4-methoxybenzamide;hydrochloride
CID 119566284

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(4-methoxyphenyl)-4,4-dimethylcycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(4-methoxyphenyl)-4,4-dimethylcycloheptan-1-amine (CID 65385792) is 1-(aminomethyl)-N-(4-methoxyphenyl)-4,4-dimethylcycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(4-methoxyphenyl)-4,4-dimethylcycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(4-methoxyphenyl)-4,4-dimethylcycloheptan-1-amine is COc1ccc(NC2(CN)CCCC(C)(C)CC2)cc1.
What is the InChIKey of 1-(aminomethyl)-N-(4-methoxyphenyl)-4,4-dimethylcycloheptan-1-amine?
The InChIKey is SHCNAIDYDXJHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-16(2)9-4-10-17(13-18,12-11-16)19-14-5-7-15(20-3)8-6-14/h5-8,19H,4,9-13,18H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-(4-methoxyphenyl)-4,4-dimethylcycloheptan-1-amine?
1-(aminomethyl)-N-(4-methoxyphenyl)-4,4-dimethylcycloheptan-1-amine has a molecular weight of 276.42 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(4-methoxyphenyl)-4,4-dimethylcycloheptan-1-amine is sourced from PubChem (CID 65385792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).