N'-ethyl-N,N-dimethyl-N'-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)propane-1,3-diamine

C17H29N3 — CID 102998669

IUPACN'-ethyl-N,N-dimethyl-N'-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)propane-1,3-diamine
SMILESCCN(CCCN(C)C)C1CCNCc2ccccc21
InChIInChI=1S/C17H29N3/c1-4-20(13-7-12-19(2)3)17-10-11-18-14-15-8-5-6-9-16(15)17/h5-6,8-9,17-18H,4,7,10-14H2,1-3H3
InChIKeyXBBYVCLEMQXQGD-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.49
Rot. Bonds6

About N'-ethyl-N,N-dimethyl-N'-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)propane-1,3-diamine

N'-ethyl-N,N-dimethyl-N'-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)propane-1,3-diamine (PubChem CID 102998669) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N'-ethyl-N,N-dimethyl-N'-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-N,N-dimethyl-N'-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)propane-1,3-diamine
PubChem CID102998669
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN'-ethyl-N,N-dimethyl-N'-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)propane-1,3-diamine
SMILESCCN(CCCN(C)C)C1CCNCc2ccccc21
InChIInChI=1S/C17H29N3/c1-4-20(13-7-12-19(2)3)17-10-11-18-14-15-8-5-6-9-16(15)17/h5-6,8-9,17-18H,4,7,10-14H2,1-3H3
InChIKeyXBBYVCLEMQXQGD-UHFFFAOYSA-N
XLogP2.49
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dipropyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103983115
N,N,N'-trimethyl-N'-(1,2,3,4-tetrahydroisoquinolin-4-yl)propane-1,3-diamine
CID 63940726
N-butan-2-yl-N-methyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 113361703
2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-N-methyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 102992408
(4R)-N,N-diethyl-1,2,3,4-tetrahydroisoquinolin-4-amine
CID 9168642
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
N-(furan-2-ylmethyl)-N-methyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103983188
2-[2-methylpropyl(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)amino]acetamide
CID 103983374
1-N,1-N-dimethyl-3-N-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)butane-1,3-diamine
CID 103981868
N,N-diethyl-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)pyrrolidin-3-amine
CID 103983445
N-cyclopropyl-N-(cyclopropylmethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103983485

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N,N-dimethyl-N'-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)propane-1,3-diamine?
The IUPAC name of N'-ethyl-N,N-dimethyl-N'-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)propane-1,3-diamine (CID 102998669) is N'-ethyl-N,N-dimethyl-N'-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-N,N-dimethyl-N'-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)propane-1,3-diamine?
The canonical SMILES for N'-ethyl-N,N-dimethyl-N'-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)propane-1,3-diamine is CCN(CCCN(C)C)C1CCNCc2ccccc21.
What is the InChIKey of N'-ethyl-N,N-dimethyl-N'-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)propane-1,3-diamine?
The InChIKey is XBBYVCLEMQXQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-4-20(13-7-12-19(2)3)17-10-11-18-14-15-8-5-6-9-16(15)17/h5-6,8-9,17-18H,4,7,10-14H2,1-3H3.
What are the key properties of N'-ethyl-N,N-dimethyl-N'-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)propane-1,3-diamine?
N'-ethyl-N,N-dimethyl-N'-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)propane-1,3-diamine has a molecular weight of 275.44 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N,N-dimethyl-N'-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)propane-1,3-diamine is sourced from PubChem (CID 102998669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).