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

C23H30N2 — CID 11280171

IUPACN-(2,2-diphenylpentyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
SMILESCCCC(CNC1=NCCCCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H30N2/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)
InChIKeyLSODECUAIDGDSR-UHFFFAOYSA-N
MW334.51 g/mol
LogP5.33
Rot. Bonds6

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

N-(2,2-diphenylpentyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine (PubChem CID 11280171) has the molecular formula C23H30N2 and a molecular weight of 334.51 g/mol. Its IUPAC name is N-(2,2-diphenylpentyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine.

Molecular Properties

Compound NameN-(2,2-diphenylpentyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
PubChem CID11280171
Molecular FormulaC23H30N2
Molecular Weight334.51 g/mol
Exact Mass334.24
IUPAC NameN-(2,2-diphenylpentyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
SMILESCCCC(CNC1=NCCCCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H30N2/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)
InChIKeyLSODECUAIDGDSR-UHFFFAOYSA-N
XLogP5.33
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.51
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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2H-Azepin-7-amine, 3,4,5,6-tetrahydro-N-(phenylmethyl)-
CID 81501
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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?
The IUPAC name of N-(2,2-diphenylpentyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine (CID 11280171) is N-(2,2-diphenylpentyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine.
What is the SMILES notation for N-(2,2-diphenylpentyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The canonical SMILES for N-(2,2-diphenylpentyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine is CCCC(CNC1=NCCCCC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(2,2-diphenylpentyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The InChIKey is LSODECUAIDGDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2/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).
What are the key properties of N-(2,2-diphenylpentyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
N-(2,2-diphenylpentyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine has a molecular weight of 334.51 g/mol, XLogP of 5.33, 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 is sourced from PubChem (CID 11280171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).