N-propan-2-yl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-1-amine

C18H30N2 — CID 83054132

IUPACN-propan-2-yl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-1-amine
SMILESCCCC(CNC(C)C)N1CCCc2ccccc2C1
InChIInChI=1S/C18H30N2/c1-4-8-18(13-19-15(2)3)20-12-7-11-16-9-5-6-10-17(16)14-20/h5-6,9-10,15,18-19H,4,7-8,11-14H2,1-3H3
InChIKeySDFWXQDUIDOEEU-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.60
Rot. Bonds6

About N-propan-2-yl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-1-amine

N-propan-2-yl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-1-amine (PubChem CID 83054132) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-propan-2-yl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-1-amine
PubChem CID83054132
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-propan-2-yl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-1-amine
SMILESCCCC(CNC(C)C)N1CCCc2ccccc2C1
InChIInChI=1S/C18H30N2/c1-4-8-18(13-19-15(2)3)20-12-7-11-16-9-5-6-10-17(16)14-20/h5-6,9-10,15,18-19H,4,7-8,11-14H2,1-3H3
InChIKeySDFWXQDUIDOEEU-UHFFFAOYSA-N
XLogP3.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-propan-2-yl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-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-tert-butyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-1-amine
CID 83039576
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpentan-1-amine
CID 83042404
3-methyl-N-propyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butan-1-amine
CID 63152688
2-(3,4-dihydro-1H-isoquinolin-2-yl)pentan-1-amine
CID 16783013
2-(1,3-dihydroisoindol-2-yl)-N-propan-2-ylpropan-1-amine
CID 62437644
2-(1,3-dihydroisoindol-2-yl)-N-propylpentan-1-amine
CID 83042303
N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]propan-2-amine
CID 63155176
N-[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pentyl]cyclopropanamine
CID 83054427
N'-hydroxy-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentanimidamide
CID 55166764
N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]butan-2-amine
CID 63153432
N-propyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-2-amine
CID 63155130
5-methoxy-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-1-amine
CID 103391890

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-1-amine?
The IUPAC name of N-propan-2-yl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-1-amine (CID 83054132) is N-propan-2-yl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-1-amine.
What is the SMILES notation for N-propan-2-yl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-1-amine?
The canonical SMILES for N-propan-2-yl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-1-amine is CCCC(CNC(C)C)N1CCCc2ccccc2C1.
What is the InChIKey of N-propan-2-yl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-1-amine?
The InChIKey is SDFWXQDUIDOEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-8-18(13-19-15(2)3)20-12-7-11-16-9-5-6-10-17(16)14-20/h5-6,9-10,15,18-19H,4,7-8,11-14H2,1-3H3.
What are the key properties of N-propan-2-yl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-1-amine?
N-propan-2-yl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-1-amine is sourced from PubChem (CID 83054132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).