5-(methylamino)-N-propyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide

C15H23N3O — CID 114335860

IUPAC5-(methylamino)-N-propyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
SMILESCCCNC(=O)N1CCCC(NC)c2ccccc21
InChIInChI=1S/C15H23N3O/c1-3-10-17-15(19)18-11-6-8-13(16-2)12-7-4-5-9-14(12)18/h4-5,7,9,13,16H,3,6,8,10-11H2,1-2H3,(H,17,19)
InChIKeyBRPOFDXZLZPHLL-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.67
Rot. Bonds3

About 5-(methylamino)-N-propyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide

5-(methylamino)-N-propyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide (PubChem CID 114335860) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 5-(methylamino)-N-propyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide.

Molecular Properties

Compound Name5-(methylamino)-N-propyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
PubChem CID114335860
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name5-(methylamino)-N-propyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
SMILESCCCNC(=O)N1CCCC(NC)c2ccccc21
InChIInChI=1S/C15H23N3O/c1-3-10-17-15(19)18-11-6-8-13(16-2)12-7-4-5-9-14(12)18/h4-5,7,9,13,16H,3,6,8,10-11H2,1-2H3,(H,17,19)
InChIKeyBRPOFDXZLZPHLL-UHFFFAOYSA-N
XLogP2.67
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-N-propyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
The IUPAC name of 5-(methylamino)-N-propyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide (CID 114335860) is 5-(methylamino)-N-propyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide.
What is the SMILES notation for 5-(methylamino)-N-propyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
The canonical SMILES for 5-(methylamino)-N-propyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide is CCCNC(=O)N1CCCC(NC)c2ccccc21.
What is the InChIKey of 5-(methylamino)-N-propyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
The InChIKey is BRPOFDXZLZPHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-10-17-15(19)18-11-6-8-13(16-2)12-7-4-5-9-14(12)18/h4-5,7,9,13,16H,3,6,8,10-11H2,1-2H3,(H,17,19).
What are the key properties of 5-(methylamino)-N-propyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
5-(methylamino)-N-propyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-N-propyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide is sourced from PubChem (CID 114335860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).