N-(2,2-diphenylethyl)-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine

C19H23N3 — CID 19820507

IUPACN-(2,2-diphenylethyl)-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine
SMILESc1ccc(C(CNC2=NCCCCN2)c2ccccc2)cc1
InChIInChI=1S/C19H23N3/c1-3-9-16(10-4-1)18(17-11-5-2-6-12-17)15-22-19-20-13-7-8-14-21-19/h1-6,9-12,18H,7-8,13-15H2,(H2,20,21,22)
InChIKeyUJIZDGHGYZBRMV-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.15
Rot. Bonds4

About N-(2,2-diphenylethyl)-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine

N-(2,2-diphenylethyl)-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine (PubChem CID 19820507) has the molecular formula C19H23N3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-(2,2-diphenylethyl)-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine.

Molecular Properties

Compound NameN-(2,2-diphenylethyl)-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine
PubChem CID19820507
Molecular FormulaC19H23N3
Molecular Weight293.41 g/mol
Exact Mass293.19
IUPAC NameN-(2,2-diphenylethyl)-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine
SMILESc1ccc(C(CNC2=NCCCCN2)c2ccccc2)cc1
InChIInChI=1S/C19H23N3/c1-3-9-16(10-4-1)18(17-11-5-2-6-12-17)15-22-19-20-13-7-8-14-21-19/h1-6,9-12,18H,7-8,13-15H2,(H2,20,21,22)
InChIKeyUJIZDGHGYZBRMV-UHFFFAOYSA-N
XLogP3.15
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-diphenylethyl)-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine?
The IUPAC name of N-(2,2-diphenylethyl)-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine (CID 19820507) is N-(2,2-diphenylethyl)-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine.
What is the SMILES notation for N-(2,2-diphenylethyl)-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine?
The canonical SMILES for N-(2,2-diphenylethyl)-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine is c1ccc(C(CNC2=NCCCCN2)c2ccccc2)cc1.
What is the InChIKey of N-(2,2-diphenylethyl)-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine?
The InChIKey is UJIZDGHGYZBRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3/c1-3-9-16(10-4-1)18(17-11-5-2-6-12-17)15-22-19-20-13-7-8-14-21-19/h1-6,9-12,18H,7-8,13-15H2,(H2,20,21,22).
What are the key properties of N-(2,2-diphenylethyl)-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine?
N-(2,2-diphenylethyl)-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine has a molecular weight of 293.41 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diphenylethyl)-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine is sourced from PubChem (CID 19820507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).