N,N-dipropyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine

C16H26N2 — CID 103983115

IUPACN,N-dipropyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
SMILESCCCN(CCC)C1CCNCc2ccccc21
InChIInChI=1S/C16H26N2/c1-3-11-18(12-4-2)16-9-10-17-13-14-7-5-6-8-15(14)16/h5-8,16-17H,3-4,9-13H2,1-2H3
InChIKeyJDXMIHHTKCEZDG-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.34
Rot. Bonds5

About N,N-dipropyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine

N,N-dipropyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine (PubChem CID 103983115) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N,N-dipropyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine.

Molecular Properties

Compound NameN,N-dipropyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
PubChem CID103983115
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN,N-dipropyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
SMILESCCCN(CCC)C1CCNCc2ccccc21
InChIInChI=1S/C16H26N2/c1-3-11-18(12-4-2)16-9-10-17-13-14-7-5-6-8-15(14)16/h5-8,16-17H,3-4,9-13H2,1-2H3
InChIKeyJDXMIHHTKCEZDG-UHFFFAOYSA-N
XLogP3.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-ethyl-N,N-dimethyl-N'-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)propane-1,3-diamine
CID 102998669
N-butan-2-yl-N-methyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 113361703
N-methyl-N-[(2-methylcyclopropyl)methyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 113361724
N-(4-fluorophenyl)-N-methyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103983396
2-[2-methylpropyl(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)amino]acetamide
CID 103983374
(4R)-N,N-diethyl-1,2,3,4-tetrahydroisoquinolin-4-amine
CID 9168642
N-cyclopropyl-N-(cyclopropylmethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103983485
N-(furan-2-ylmethyl)-N-methyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103983188
2-[methyl(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)amino]-1-pyrrolidin-1-ylethanone
CID 103983282
N-(2,3-dihydro-1H-inden-1-yl)-N-propylpyrrolidin-3-amine
CID 55203622
N-(3-fluorophenyl)-N-methyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103983408
N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)propan-1-amine
CID 65262509

Frequently Asked Questions

What is the IUPAC name of N,N-dipropyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The IUPAC name of N,N-dipropyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine (CID 103983115) is N,N-dipropyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine.
What is the SMILES notation for N,N-dipropyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The canonical SMILES for N,N-dipropyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine is CCCN(CCC)C1CCNCc2ccccc21.
What is the InChIKey of N,N-dipropyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The InChIKey is JDXMIHHTKCEZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-11-18(12-4-2)16-9-10-17-13-14-7-5-6-8-15(14)16/h5-8,16-17H,3-4,9-13H2,1-2H3.
What are the key properties of N,N-dipropyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
N,N-dipropyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine has a molecular weight of 246.40 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine is sourced from PubChem (CID 103983115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).