N-(5,7-dimethyl-2,3-dihydro-1H-1-benzazepin-4-yl)propan-2-imine

C15H20N2 — CID 129208962

IUPACN-(5,7-dimethyl-2,3-dihydro-1H-1-benzazepin-4-yl)propan-2-imine
SMILESCC(C)=NC1=C(C)c2cc(C)ccc2NCC1
InChIInChI=1S/C15H20N2/c1-10(2)17-14-7-8-16-15-6-5-11(3)9-13(15)12(14)4/h5-6,9,16H,7-8H2,1-4H3
InChIKeyUAZUNHJCBDJOKD-UHFFFAOYSA-N
MW228.34 g/mol
LogP4.02
Rot. Bonds1

About N-(5,7-dimethyl-2,3-dihydro-1H-1-benzazepin-4-yl)propan-2-imine

N-(5,7-dimethyl-2,3-dihydro-1H-1-benzazepin-4-yl)propan-2-imine (PubChem CID 129208962) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-(5,7-dimethyl-2,3-dihydro-1H-1-benzazepin-4-yl)propan-2-imine.

Molecular Properties

Compound NameN-(5,7-dimethyl-2,3-dihydro-1H-1-benzazepin-4-yl)propan-2-imine
PubChem CID129208962
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC NameN-(5,7-dimethyl-2,3-dihydro-1H-1-benzazepin-4-yl)propan-2-imine
SMILESCC(C)=NC1=C(C)c2cc(C)ccc2NCC1
InChIInChI=1S/C15H20N2/c1-10(2)17-14-7-8-16-15-6-5-11(3)9-13(15)12(14)4/h5-6,9,16H,7-8H2,1-4H3
InChIKeyUAZUNHJCBDJOKD-UHFFFAOYSA-N
XLogP4.02
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-(5,7-dimethyl-2,3-dihydro-1H-1-benzazepin-4-yl)propan-2-imine?
The IUPAC name of N-(5,7-dimethyl-2,3-dihydro-1H-1-benzazepin-4-yl)propan-2-imine (CID 129208962) is N-(5,7-dimethyl-2,3-dihydro-1H-1-benzazepin-4-yl)propan-2-imine.
What is the SMILES notation for N-(5,7-dimethyl-2,3-dihydro-1H-1-benzazepin-4-yl)propan-2-imine?
The canonical SMILES for N-(5,7-dimethyl-2,3-dihydro-1H-1-benzazepin-4-yl)propan-2-imine is CC(C)=NC1=C(C)c2cc(C)ccc2NCC1.
What is the InChIKey of N-(5,7-dimethyl-2,3-dihydro-1H-1-benzazepin-4-yl)propan-2-imine?
The InChIKey is UAZUNHJCBDJOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-10(2)17-14-7-8-16-15-6-5-11(3)9-13(15)12(14)4/h5-6,9,16H,7-8H2,1-4H3.
What are the key properties of N-(5,7-dimethyl-2,3-dihydro-1H-1-benzazepin-4-yl)propan-2-imine?
N-(5,7-dimethyl-2,3-dihydro-1H-1-benzazepin-4-yl)propan-2-imine has a molecular weight of 228.34 g/mol, XLogP of 4.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,7-dimethyl-2,3-dihydro-1H-1-benzazepin-4-yl)propan-2-imine is sourced from PubChem (CID 129208962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).