1-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)azepan-4-amine

C17H26N2 — CID 65071434

IUPAC1-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)azepan-4-amine
SMILESCN1CCCC(Nc2cccc3c2CCCC3)CC1
InChIInChI=1S/C17H26N2/c1-19-12-5-8-15(11-13-19)18-17-10-4-7-14-6-2-3-9-16(14)17/h4,7,10,15,18H,2-3,5-6,8-9,11-13H2,1H3
InChIKeyOILPWJOWAMJOAR-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.46
Rot. Bonds2

About 1-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)azepan-4-amine

1-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)azepan-4-amine (PubChem CID 65071434) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)azepan-4-amine.

Molecular Properties

Compound Name1-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)azepan-4-amine
PubChem CID65071434
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name1-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)azepan-4-amine
SMILESCN1CCCC(Nc2cccc3c2CCCC3)CC1
InChIInChI=1S/C17H26N2/c1-19-12-5-8-15(11-13-19)18-17-10-4-7-14-6-2-3-9-16(14)17/h4,7,10,15,18H,2-3,5-6,8-9,11-13H2,1H3
InChIKeyOILPWJOWAMJOAR-UHFFFAOYSA-N
XLogP3.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)azepan-4-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

N-cyclopropyl-2,3-dihydro-1H-inden-4-amine
CID 91150156
N-[1-(1-methylpiperidin-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine
CID 43307588
N-(2-iodophenyl)-1-methylazepan-4-amine
CID 65071250
N-[(1-methylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine
CID 62655412
N-(5,6,7,8-tetrahydronaphthalen-1-yl)thian-3-amine
CID 62872683
N-(1-methylazepan-4-yl)quinolin-5-amine
CID 65071582
N-[2-[(dimethylamino)methyl]phenyl]-1-methylazepan-4-amine
CID 65070089
2,6-dimethyl-3-[(1-methylazepan-4-yl)amino]phenol
CID 65070779
1-methyl-N-(2-morpholin-4-ylphenyl)azepan-4-amine
CID 65070370
N-(3-phenylcyclobutyl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 43632103
8-methyl-N-(1-methylazepan-4-yl)quinolin-5-amine
CID 65070427
1-methyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]azepan-4-amine
CID 65070364

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)azepan-4-amine?
The IUPAC name of 1-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)azepan-4-amine (CID 65071434) is 1-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)azepan-4-amine.
What is the SMILES notation for 1-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)azepan-4-amine?
The canonical SMILES for 1-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)azepan-4-amine is CN1CCCC(Nc2cccc3c2CCCC3)CC1.
What is the InChIKey of 1-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)azepan-4-amine?
The InChIKey is OILPWJOWAMJOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-19-12-5-8-15(11-13-19)18-17-10-4-7-14-6-2-3-9-16(14)17/h4,7,10,15,18H,2-3,5-6,8-9,11-13H2,1H3.
What are the key properties of 1-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)azepan-4-amine?
1-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)azepan-4-amine has a molecular weight of 258.41 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)azepan-4-amine is sourced from PubChem (CID 65071434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).