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

C15H24N2 — CID 114335975

IUPAC1-(3-methylbutyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine
SMILESCC(C)CCN1CCCC(N)c2ccccc21
InChIInChI=1S/C15H24N2/c1-12(2)9-11-17-10-5-7-14(16)13-6-3-4-8-15(13)17/h3-4,6,8,12,14H,5,7,9-11,16H2,1-2H3
InChIKeyDYYPVYGSIWFIDK-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.33
Rot. Bonds3

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

1-(3-methylbutyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine (PubChem CID 114335975) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-(3-methylbutyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine.

Molecular Properties

Compound Name1-(3-methylbutyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine
PubChem CID114335975
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name1-(3-methylbutyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine
SMILESCC(C)CCN1CCCC(N)c2ccccc21
InChIInChI=1S/C15H24N2/c1-12(2)9-11-17-10-5-7-14(16)13-6-3-4-8-15(13)17/h3-4,6,8,12,14H,5,7,9-11,16H2,1-2H3
InChIKeyDYYPVYGSIWFIDK-UHFFFAOYSA-N
XLogP3.33
TPSA29.26 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 ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylpentyl)-3,4-dihydro-2H-quinolin-4-amine
CID 83153620
1-nonyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336060
1-(4-methoxybutyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336160
3-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)propanamide
CID 114336013
1-[2-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]pyridin-2-one
CID 114336159
1-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-methylpropan-2-ol
CID 114336015
1-[(4-ethylphenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336111
1-butan-2-yl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336030
1-[(4-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114335986
1-[(3-fluorophenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114335994
1-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2,3-dimethylbutan-1-one
CID 114335617
1-(3-methylbutyl)-2,3-dihydroindole
CID 143815180

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
The IUPAC name of 1-(3-methylbutyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine (CID 114335975) is 1-(3-methylbutyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine.
What is the SMILES notation for 1-(3-methylbutyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
The canonical SMILES for 1-(3-methylbutyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine is CC(C)CCN1CCCC(N)c2ccccc21.
What is the InChIKey of 1-(3-methylbutyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
The InChIKey is DYYPVYGSIWFIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-12(2)9-11-17-10-5-7-14(16)13-6-3-4-8-15(13)17/h3-4,6,8,12,14H,5,7,9-11,16H2,1-2H3.
What are the key properties of 1-(3-methylbutyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
1-(3-methylbutyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine has a molecular weight of 232.37 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine is sourced from PubChem (CID 114335975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).