N-(2,2-diphenylpentyl)-1-azacyclotridecen-2-amine

C29H42N2 — CID 14997863

IUPACN-(2,2-diphenylpentyl)-1-azacyclotridecen-2-amine
SMILESCCCC(CN/C1=N/CCCCCCCCCCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H42N2/c1-2-23-29(26-18-12-10-13-19-26,27-20-14-11-15-21-27)25-31-28-22-16-8-6-4-3-5-7-9-17-24-30-28/h10-15,18-21H,2-9,16-17,22-25H2,1H3,(H,30,31)
InChIKeyGPBIVGMZDLYCDG-UHFFFAOYSA-N
MW418.67 g/mol
LogP7.68
Rot. Bonds6

About N-(2,2-diphenylpentyl)-1-azacyclotridecen-2-amine

N-(2,2-diphenylpentyl)-1-azacyclotridecen-2-amine (PubChem CID 14997863) has the molecular formula C29H42N2 and a molecular weight of 418.67 g/mol. Its IUPAC name is N-(2,2-diphenylpentyl)-1-azacyclotridecen-2-amine.

Molecular Properties

Compound NameN-(2,2-diphenylpentyl)-1-azacyclotridecen-2-amine
PubChem CID14997863
Molecular FormulaC29H42N2
Molecular Weight418.67 g/mol
Exact Mass418.33
IUPAC NameN-(2,2-diphenylpentyl)-1-azacyclotridecen-2-amine
SMILESCCCC(CN/C1=N/CCCCCCCCCCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H42N2/c1-2-23-29(26-18-12-10-13-19-26,27-20-14-11-15-21-27)25-31-28-22-16-8-6-4-3-5-7-9-17-24-30-28/h10-15,18-21H,2-9,16-17,22-25H2,1H3,(H,30,31)
InChIKeyGPBIVGMZDLYCDG-UHFFFAOYSA-N
XLogP7.68
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.67
LogP ≤ 57.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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2-(2-Biphenyl-2-yl-ethyl)-4,5-dihydro-1H-imidazole
CID 23242865
N-[(1S,2S)-2-phenylcyclopentyl]-1-azacyclotridecen-2-amine
CID 6917817
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Frequently Asked Questions

What is the IUPAC name of N-(2,2-diphenylpentyl)-1-azacyclotridecen-2-amine?
The IUPAC name of N-(2,2-diphenylpentyl)-1-azacyclotridecen-2-amine (CID 14997863) is N-(2,2-diphenylpentyl)-1-azacyclotridecen-2-amine.
What is the SMILES notation for N-(2,2-diphenylpentyl)-1-azacyclotridecen-2-amine?
The canonical SMILES for N-(2,2-diphenylpentyl)-1-azacyclotridecen-2-amine is CCCC(CN/C1=N/CCCCCCCCCCC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(2,2-diphenylpentyl)-1-azacyclotridecen-2-amine?
The InChIKey is GPBIVGMZDLYCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H42N2/c1-2-23-29(26-18-12-10-13-19-26,27-20-14-11-15-21-27)25-31-28-22-16-8-6-4-3-5-7-9-17-24-30-28/h10-15,18-21H,2-9,16-17,22-25H2,1H3,(H,30,31).
What are the key properties of N-(2,2-diphenylpentyl)-1-azacyclotridecen-2-amine?
N-(2,2-diphenylpentyl)-1-azacyclotridecen-2-amine has a molecular weight of 418.67 g/mol, XLogP of 7.68, 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)-1-azacyclotridecen-2-amine is sourced from PubChem (CID 14997863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).