3-phenyl-N-propyl-1,3,4,5-tetrahydro-1-benzazepin-2-imine

C19H22N2 — CID 135417141

IUPAC3-phenyl-N-propyl-1,3,4,5-tetrahydro-1-benzazepin-2-imine
SMILESCCC/N=C1\Nc2ccccc2CCC1c1ccccc1
InChIInChI=1S/C19H22N2/c1-2-14-20-19-17(15-8-4-3-5-9-15)13-12-16-10-6-7-11-18(16)21-19/h3-11,17H,2,12-14H2,1H3,(H,20,21)
InChIKeyUWNPWZAPUCIRMH-UHFFFAOYSA-N
MW278.40 g/mol
LogP4.64
Rot. Bonds3

About 3-phenyl-N-propyl-1,3,4,5-tetrahydro-1-benzazepin-2-imine

3-phenyl-N-propyl-1,3,4,5-tetrahydro-1-benzazepin-2-imine (PubChem CID 135417141) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-phenyl-N-propyl-1,3,4,5-tetrahydro-1-benzazepin-2-imine.

Molecular Properties

Compound Name3-phenyl-N-propyl-1,3,4,5-tetrahydro-1-benzazepin-2-imine
PubChem CID135417141
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name3-phenyl-N-propyl-1,3,4,5-tetrahydro-1-benzazepin-2-imine
SMILESCCC/N=C1\Nc2ccccc2CCC1c1ccccc1
InChIInChI=1S/C19H22N2/c1-2-14-20-19-17(15-8-4-3-5-9-15)13-12-16-10-6-7-11-18(16)21-19/h3-11,17H,2,12-14H2,1H3,(H,20,21)
InChIKeyUWNPWZAPUCIRMH-UHFFFAOYSA-N
XLogP4.64
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-propyl-1,3,4,5-tetrahydro-1-benzazepin-2-imine?
The IUPAC name of 3-phenyl-N-propyl-1,3,4,5-tetrahydro-1-benzazepin-2-imine (CID 135417141) is 3-phenyl-N-propyl-1,3,4,5-tetrahydro-1-benzazepin-2-imine.
What is the SMILES notation for 3-phenyl-N-propyl-1,3,4,5-tetrahydro-1-benzazepin-2-imine?
The canonical SMILES for 3-phenyl-N-propyl-1,3,4,5-tetrahydro-1-benzazepin-2-imine is CCC/N=C1\Nc2ccccc2CCC1c1ccccc1.
What is the InChIKey of 3-phenyl-N-propyl-1,3,4,5-tetrahydro-1-benzazepin-2-imine?
The InChIKey is UWNPWZAPUCIRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2/c1-2-14-20-19-17(15-8-4-3-5-9-15)13-12-16-10-6-7-11-18(16)21-19/h3-11,17H,2,12-14H2,1H3,(H,20,21).
What are the key properties of 3-phenyl-N-propyl-1,3,4,5-tetrahydro-1-benzazepin-2-imine?
3-phenyl-N-propyl-1,3,4,5-tetrahydro-1-benzazepin-2-imine has a molecular weight of 278.40 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-propyl-1,3,4,5-tetrahydro-1-benzazepin-2-imine is sourced from PubChem (CID 135417141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).