N-butan-2-yl-N-methyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine

C15H24N2 — CID 113361703

IUPACN-butan-2-yl-N-methyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
SMILESCCC(C)N(C)C1CCNCc2ccccc21
InChIInChI=1S/C15H24N2/c1-4-12(2)17(3)15-9-10-16-11-13-7-5-6-8-14(13)15/h5-8,12,15-16H,4,9-11H2,1-3H3
InChIKeyKKYSZIGVTWJTKO-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.95
Rot. Bonds3

About N-butan-2-yl-N-methyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine

N-butan-2-yl-N-methyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine (PubChem CID 113361703) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-butan-2-yl-N-methyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine.

Molecular Properties

Compound NameN-butan-2-yl-N-methyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
PubChem CID113361703
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-butan-2-yl-N-methyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
SMILESCCC(C)N(C)C1CCNCc2ccccc21
InChIInChI=1S/C15H24N2/c1-4-12(2)17(3)15-9-10-16-11-13-7-5-6-8-14(13)15/h5-8,12,15-16H,4,9-11H2,1-3H3
InChIKeyKKYSZIGVTWJTKO-UHFFFAOYSA-N
XLogP2.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dipropyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103983115
N-methyl-N-[(2-methylcyclopropyl)methyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 113361724
N'-ethyl-N,N-dimethyl-N'-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)propane-1,3-diamine
CID 102998669
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
N-(2-methylbutyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 113361569
N-cyclopropyl-N-(cyclopropylmethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103983485
2-[methyl(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)amino]-1-pyrrolidin-1-ylethanone
CID 103983282
N-(3-fluorophenyl)-N-methyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103983408
1-N,1-N-dimethyl-3-N-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)butane-1,3-diamine
CID 103981868
(4R)-N,N-diethyl-1,2,3,4-tetrahydroisoquinolin-4-amine
CID 9168642

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-methyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The IUPAC name of N-butan-2-yl-N-methyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine (CID 113361703) is N-butan-2-yl-N-methyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine.
What is the SMILES notation for N-butan-2-yl-N-methyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The canonical SMILES for N-butan-2-yl-N-methyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine is CCC(C)N(C)C1CCNCc2ccccc21.
What is the InChIKey of N-butan-2-yl-N-methyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The InChIKey is KKYSZIGVTWJTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-4-12(2)17(3)15-9-10-16-11-13-7-5-6-8-14(13)15/h5-8,12,15-16H,4,9-11H2,1-3H3.
What are the key properties of N-butan-2-yl-N-methyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
N-butan-2-yl-N-methyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine has a molecular weight of 232.37 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-methyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine is sourced from PubChem (CID 113361703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).