3-methyl-N-propyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butan-1-amine

C18H30N2 — CID 63152688

IUPAC3-methyl-N-propyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butan-1-amine
SMILESCCCNCC(C(C)C)N1CCCc2ccccc2C1
InChIInChI=1S/C18H30N2/c1-4-11-19-13-18(15(2)3)20-12-7-10-16-8-5-6-9-17(16)14-20/h5-6,8-9,15,18-19H,4,7,10-14H2,1-3H3
InChIKeyLQIYEHIWFGZPFQ-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.46
Rot. Bonds6

About 3-methyl-N-propyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butan-1-amine

3-methyl-N-propyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butan-1-amine (PubChem CID 63152688) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 3-methyl-N-propyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-N-propyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butan-1-amine
PubChem CID63152688
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name3-methyl-N-propyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butan-1-amine
SMILESCCCNCC(C(C)C)N1CCCc2ccccc2C1
InChIInChI=1S/C18H30N2/c1-4-11-19-13-18(15(2)3)20-12-7-10-16-8-5-6-9-17(16)14-20/h5-6,8-9,15,18-19H,4,7,10-14H2,1-3H3
InChIKeyLQIYEHIWFGZPFQ-UHFFFAOYSA-N
XLogP3.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-propan-2-yl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-1-amine
CID 83054132
N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]propan-1-amine
CID 63155260
2-(1,3-dihydroisoindol-2-yl)-N-propylpentan-1-amine
CID 83042303
N-tert-butyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-1-amine
CID 83039576
3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butanehydrazide
CID 63573604
N-(2-phenyl-2-pyrrolidin-1-ylethyl)propan-1-amine
CID 43202060
N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]propan-2-amine
CID 63155176
N-[2-(1,3-dihydroisoindol-2-yl)ethyl]propan-1-amine
CID 62204668
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]-3-phenylurea
CID 110403233
N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]butan-2-amine
CID 63153432
3-methyl-N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]butan-2-amine
CID 63153733
N-propyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-2-amine
CID 63155130

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butan-1-amine?
The IUPAC name of 3-methyl-N-propyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butan-1-amine (CID 63152688) is 3-methyl-N-propyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butan-1-amine.
What is the SMILES notation for 3-methyl-N-propyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butan-1-amine?
The canonical SMILES for 3-methyl-N-propyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butan-1-amine is CCCNCC(C(C)C)N1CCCc2ccccc2C1.
What is the InChIKey of 3-methyl-N-propyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butan-1-amine?
The InChIKey is LQIYEHIWFGZPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-11-19-13-18(15(2)3)20-12-7-10-16-8-5-6-9-17(16)14-20/h5-6,8-9,15,18-19H,4,7,10-14H2,1-3H3.
What are the key properties of 3-methyl-N-propyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butan-1-amine?
3-methyl-N-propyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butan-1-amine is sourced from PubChem (CID 63152688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).