2-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)butan-1-amine

C15H24N2 — CID 65232676

IUPAC2-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)butan-1-amine
SMILESCCC(CN)CN1CCc2ccccc2CC1
InChIInChI=1S/C15H24N2/c1-2-13(11-16)12-17-9-7-14-5-3-4-6-15(14)8-10-17/h3-6,13H,2,7-12,16H2,1H3
InChIKeyLMHBLCFOSZDZLA-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.07
Rot. Bonds4

About 2-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)butan-1-amine

2-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)butan-1-amine (PubChem CID 65232676) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name2-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)butan-1-amine
PubChem CID65232676
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name2-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)butan-1-amine
SMILESCCC(CN)CN1CCc2ccccc2CC1
InChIInChI=1S/C15H24N2/c1-2-13(11-16)12-17-9-7-14-5-3-4-6-15(14)8-10-17/h3-6,13H,2,7-12,16H2,1H3
InChIKeyLMHBLCFOSZDZLA-UHFFFAOYSA-N
XLogP2.07
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)pentan-1-amine
CID 65232675
4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethylbutan-1-amine
CID 142598065
2-methyl-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)propan-1-ol
CID 115873112
3-pentan-3-yl-1,2,4,5-tetrahydro-3-benzazepine
CID 86055539
1-(3,4-dihydro-1H-isoquinolin-2-yl)hexan-2-amine
CID 60854585
(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 39238520
3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropanamide
CID 82079357
1-(2-benzylbutyl)-4-methylpiperazine;ethane
CID 90910266
2-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-amine
CID 16641863
2-(3,4-dihydro-1H-isoquinolin-2-yl)pentan-1-amine
CID 16783013
(2R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)butan-2-amine
CID 93302066
ethane;2-(2-methylhexyl)-3,4-dihydro-1H-isoquinoline
CID 158221381

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)butan-1-amine?
The IUPAC name of 2-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)butan-1-amine (CID 65232676) is 2-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)butan-1-amine.
What is the SMILES notation for 2-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)butan-1-amine?
The canonical SMILES for 2-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)butan-1-amine is CCC(CN)CN1CCc2ccccc2CC1.
What is the InChIKey of 2-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)butan-1-amine?
The InChIKey is LMHBLCFOSZDZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-2-13(11-16)12-17-9-7-14-5-3-4-6-15(14)8-10-17/h3-6,13H,2,7-12,16H2,1H3.
What are the key properties of 2-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)butan-1-amine?
2-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)butan-1-amine has a molecular weight of 232.37 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)butan-1-amine is sourced from PubChem (CID 65232676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).