N-(2,2-diphenylpentyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride

C23H31ClN2 — CID 11280170

IUPACN-(2,2-diphenylpentyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride
SMILESCCCC(CNC1=NCCCCC1)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C23H30N2.ClH/c1-2-17-23(20-12-6-3-7-13-20,21-14-8-4-9-15-21)19-25-22-16-10-5-11-18-24-22;/h3-4,6-9,12-15H,2,5,10-11,16-19H2,1H3,(H,24,25);1H
InChIKeyYYDHDYVIRMTYGO-UHFFFAOYSA-N
MW370.97 g/mol
LogP5.76
Rot. Bonds6

About N-(2,2-diphenylpentyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride

N-(2,2-diphenylpentyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride (PubChem CID 11280170) has the molecular formula C23H31ClN2 and a molecular weight of 370.97 g/mol. Its IUPAC name is N-(2,2-diphenylpentyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride.

Molecular Properties

Compound NameN-(2,2-diphenylpentyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride
PubChem CID11280170
Molecular FormulaC23H31ClN2
Molecular Weight370.97 g/mol
Exact Mass370.22
IUPAC NameN-(2,2-diphenylpentyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride
SMILESCCCC(CNC1=NCCCCC1)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C23H30N2.ClH/c1-2-17-23(20-12-6-3-7-13-20,21-14-8-4-9-15-21)19-25-22-16-10-5-11-18-24-22;/h3-4,6-9,12-15H,2,5,10-11,16-19H2,1H3,(H,24,25);1H
InChIKeyYYDHDYVIRMTYGO-UHFFFAOYSA-N
XLogP5.76
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.97
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-diphenylpentyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride?
The IUPAC name of N-(2,2-diphenylpentyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride (CID 11280170) is N-(2,2-diphenylpentyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride.
What is the SMILES notation for N-(2,2-diphenylpentyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride?
The canonical SMILES for N-(2,2-diphenylpentyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride is CCCC(CNC1=NCCCCC1)(c1ccccc1)c1ccccc1.Cl.
What is the InChIKey of N-(2,2-diphenylpentyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride?
The InChIKey is YYDHDYVIRMTYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2.ClH/c1-2-17-23(20-12-6-3-7-13-20,21-14-8-4-9-15-21)19-25-22-16-10-5-11-18-24-22;/h3-4,6-9,12-15H,2,5,10-11,16-19H2,1H3,(H,24,25);1H.
What are the key properties of N-(2,2-diphenylpentyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride?
N-(2,2-diphenylpentyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride has a molecular weight of 370.97 g/mol, XLogP of 5.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diphenylpentyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride is sourced from PubChem (CID 11280170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).