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

C14H22N2 — CID 114336030

IUPAC1-butan-2-yl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
SMILESCCC(C)N1CCCC(N)c2ccccc21
InChIInChI=1S/C14H22N2/c1-3-11(2)16-10-6-8-13(15)12-7-4-5-9-14(12)16/h4-5,7,9,11,13H,3,6,8,10,15H2,1-2H3
InChIKeyYLRYUALHINZPRQ-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.09
Rot. Bonds2

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

1-butan-2-yl-2,3,4,5-tetrahydro-1-benzazepin-5-amine (PubChem CID 114336030) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-butan-2-yl-2,3,4,5-tetrahydro-1-benzazepin-5-amine.

Molecular Properties

Compound Name1-butan-2-yl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
PubChem CID114336030
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name1-butan-2-yl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
SMILESCCC(C)N1CCCC(N)c2ccccc21
InChIInChI=1S/C14H22N2/c1-3-11(2)16-10-6-8-13(15)12-7-4-5-9-14(12)16/h4-5,7,9,11,13H,3,6,8,10,15H2,1-2H3
InChIKeyYLRYUALHINZPRQ-UHFFFAOYSA-N
XLogP3.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 114336036
2-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-N-ethylpropanamide
CID 114336132
1-(3-methylbutyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114335975
1-[(4-ethylphenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336111
1-nonyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336060
1-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2,3-dimethylbutan-1-one
CID 114335617
1-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-methylpropan-2-ol
CID 114336015
1-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-ethoxyethanone
CID 114335676
ethane;1-methyl-3,4-dihydro-2H-quinolin-4-amine
CID 142426417
1-(2,2,5,5-tetramethyloxolan-3-yl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114620929
1-(4-methoxybutyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336160
1-(4-methylpentyl)-3,4-dihydro-2H-quinolin-4-amine
CID 83153620

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
The IUPAC name of 1-butan-2-yl-2,3,4,5-tetrahydro-1-benzazepin-5-amine (CID 114336030) is 1-butan-2-yl-2,3,4,5-tetrahydro-1-benzazepin-5-amine.
What is the SMILES notation for 1-butan-2-yl-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
The canonical SMILES for 1-butan-2-yl-2,3,4,5-tetrahydro-1-benzazepin-5-amine is CCC(C)N1CCCC(N)c2ccccc21.
What is the InChIKey of 1-butan-2-yl-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
The InChIKey is YLRYUALHINZPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-3-11(2)16-10-6-8-13(15)12-7-4-5-9-14(12)16/h4-5,7,9,11,13H,3,6,8,10,15H2,1-2H3.
What are the key properties of 1-butan-2-yl-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
1-butan-2-yl-2,3,4,5-tetrahydro-1-benzazepin-5-amine has a molecular weight of 218.34 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-2,3,4,5-tetrahydro-1-benzazepin-5-amine is sourced from PubChem (CID 114336030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).