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

C15H24N2O — CID 114336160

IUPAC1-(4-methoxybutyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine
SMILESCOCCCCN1CCCC(N)c2ccccc21
InChIInChI=1S/C15H24N2O/c1-18-12-5-4-10-17-11-6-8-14(16)13-7-2-3-9-15(13)17/h2-3,7,9,14H,4-6,8,10-12,16H2,1H3
InChIKeyMPZBQULCKPIFGL-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.71
Rot. Bonds5

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

1-(4-methoxybutyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine (PubChem CID 114336160) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(4-methoxybutyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine.

Molecular Properties

Compound Name1-(4-methoxybutyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine
PubChem CID114336160
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-(4-methoxybutyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine
SMILESCOCCCCN1CCCC(N)c2ccccc21
InChIInChI=1S/C15H24N2O/c1-18-12-5-4-10-17-11-6-8-14(16)13-7-2-3-9-15(13)17/h2-3,7,9,14H,4-6,8,10-12,16H2,1H3
InChIKeyMPZBQULCKPIFGL-UHFFFAOYSA-N
XLogP2.71
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-nonyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336060
1-(3-methylbutyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114335975
3-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)propanamide
CID 114336013
N-ethyl-1-(4-methoxybutyl)-3,4-dihydro-2H-quinolin-4-amine
CID 104646717
1-[(4-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114335986
1-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-methylpropan-2-ol
CID 114336015
1-(4-methylpentyl)-3,4-dihydro-2H-quinolin-4-amine
CID 83153620
1-(4-phenylbutyl)-3,4-dihydro-2H-quinolin-4-amine
CID 114332852
1-[2-(2-methoxyethoxy)ethyl]-N-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336239
1-[(4-ethylphenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336111
1-[2-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]pyridin-2-one
CID 114336159
1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-4-ol
CID 114337638

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxybutyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
The IUPAC name of 1-(4-methoxybutyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine (CID 114336160) is 1-(4-methoxybutyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine.
What is the SMILES notation for 1-(4-methoxybutyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
The canonical SMILES for 1-(4-methoxybutyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine is COCCCCN1CCCC(N)c2ccccc21.
What is the InChIKey of 1-(4-methoxybutyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
The InChIKey is MPZBQULCKPIFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-18-12-5-4-10-17-11-6-8-14(16)13-7-2-3-9-15(13)17/h2-3,7,9,14H,4-6,8,10-12,16H2,1H3.
What are the key properties of 1-(4-methoxybutyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
1-(4-methoxybutyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine has a molecular weight of 248.37 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxybutyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine is sourced from PubChem (CID 114336160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).