2-methyl-N-[[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)cyclobutyl]methyl]propan-1-amine

C19H30N2 — CID 80999782

IUPAC2-methyl-N-[[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)cyclobutyl]methyl]propan-1-amine
SMILESCC(C)CNCC1CCC1N1CCc2ccccc2CC1
InChIInChI=1S/C19H30N2/c1-15(2)13-20-14-18-7-8-19(18)21-11-9-16-5-3-4-6-17(16)10-12-21/h3-6,15,18-20H,7-14H2,1-2H3
InChIKeyPOTCRSGJNHBXME-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.11
Rot. Bonds5

About 2-methyl-N-[[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)cyclobutyl]methyl]propan-1-amine

2-methyl-N-[[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)cyclobutyl]methyl]propan-1-amine (PubChem CID 80999782) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 2-methyl-N-[[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)cyclobutyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)cyclobutyl]methyl]propan-1-amine
PubChem CID80999782
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name2-methyl-N-[[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)cyclobutyl]methyl]propan-1-amine
SMILESCC(C)CNCC1CCC1N1CCc2ccccc2CC1
InChIInChI=1S/C19H30N2/c1-15(2)13-20-14-18-7-8-19(18)21-11-9-16-5-3-4-6-17(16)10-12-21/h3-6,15,18-20H,7-14H2,1-2H3
InChIKeyPOTCRSGJNHBXME-UHFFFAOYSA-N
XLogP3.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-N-[[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)cyclobutyl]methyl]propan-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

N-Ethylamphetamine
CID 9982
Propylamphetamine
CID 103544
N-Butyl-alpha-methylbenzeneethanamine
CID 94547
N,alpha-Diethylbenzeneethanamine
CID 14833603
2,3,4,5-Tetrahydro-1H-benzo(d)azepine
CID 1400243
1-Phenyl-2,3,4,5-tetrahydro-1h-3-benzazepine hydrochloride
CID 2870942
Etilamfetamine, (R)-
CID 12329382
5-Methyl-1,2,4,5-tetrahydrospiro[benzo[c]azepine-3,1'-cyclohexane]
CID 3148804
3,3,5-Trimethyl-2,3,4,5-tetrahydro-1H-2-benzazepine hydrochloride
CID 6603677
N-(2,2-diphenylethyl)-1-propyl-piperidin-4-amine
CID 2846415
8-Fluoro-1-methyl-2,3,4,5-tetrahydro-1h-3-benzazepine
CID 10329912
1-Methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine
CID 24773979

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)cyclobutyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)cyclobutyl]methyl]propan-1-amine (CID 80999782) is 2-methyl-N-[[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)cyclobutyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)cyclobutyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)cyclobutyl]methyl]propan-1-amine is CC(C)CNCC1CCC1N1CCc2ccccc2CC1.
What is the InChIKey of 2-methyl-N-[[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)cyclobutyl]methyl]propan-1-amine?
The InChIKey is POTCRSGJNHBXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-15(2)13-20-14-18-7-8-19(18)21-11-9-16-5-3-4-6-17(16)10-12-21/h3-6,15,18-20H,7-14H2,1-2H3.
What are the key properties of 2-methyl-N-[[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)cyclobutyl]methyl]propan-1-amine?
2-methyl-N-[[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)cyclobutyl]methyl]propan-1-amine has a molecular weight of 286.46 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)cyclobutyl]methyl]propan-1-amine is sourced from PubChem (CID 80999782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).