N-(2,2-diphenylbutyl)-2,3,4,5,6,7-hexahydroazocin-8-amine

C23H30N2 — CID 19812956

IUPACN-(2,2-diphenylbutyl)-2,3,4,5,6,7-hexahydroazocin-8-amine
SMILESCCC(CN/C1=N/CCCCCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H30N2/c1-2-23(20-13-7-5-8-14-20,21-15-9-6-10-16-21)19-25-22-17-11-3-4-12-18-24-22/h5-10,13-16H,2-4,11-12,17-19H2,1H3,(H,24,25)
InChIKeyJTQFEINENSSLCG-UHFFFAOYSA-N
MW334.51 g/mol
LogP5.33
Rot. Bonds5

About N-(2,2-diphenylbutyl)-2,3,4,5,6,7-hexahydroazocin-8-amine

N-(2,2-diphenylbutyl)-2,3,4,5,6,7-hexahydroazocin-8-amine (PubChem CID 19812956) has the molecular formula C23H30N2 and a molecular weight of 334.51 g/mol. Its IUPAC name is N-(2,2-diphenylbutyl)-2,3,4,5,6,7-hexahydroazocin-8-amine.

Molecular Properties

Compound NameN-(2,2-diphenylbutyl)-2,3,4,5,6,7-hexahydroazocin-8-amine
PubChem CID19812956
Molecular FormulaC23H30N2
Molecular Weight334.51 g/mol
Exact Mass334.24
IUPAC NameN-(2,2-diphenylbutyl)-2,3,4,5,6,7-hexahydroazocin-8-amine
SMILESCCC(CN/C1=N/CCCCCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H30N2/c1-2-23(20-13-7-5-8-14-20,21-15-9-6-10-16-21)19-25-22-17-11-3-4-12-18-24-22/h5-10,13-16H,2-4,11-12,17-19H2,1H3,(H,24,25)
InChIKeyJTQFEINENSSLCG-UHFFFAOYSA-N
XLogP5.33
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of N-(2,2-diphenylbutyl)-2,3,4,5,6,7-hexahydroazocin-8-amine?
The IUPAC name of N-(2,2-diphenylbutyl)-2,3,4,5,6,7-hexahydroazocin-8-amine (CID 19812956) is N-(2,2-diphenylbutyl)-2,3,4,5,6,7-hexahydroazocin-8-amine.
What is the SMILES notation for N-(2,2-diphenylbutyl)-2,3,4,5,6,7-hexahydroazocin-8-amine?
The canonical SMILES for N-(2,2-diphenylbutyl)-2,3,4,5,6,7-hexahydroazocin-8-amine is CCC(CN/C1=N/CCCCCC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(2,2-diphenylbutyl)-2,3,4,5,6,7-hexahydroazocin-8-amine?
The InChIKey is JTQFEINENSSLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2/c1-2-23(20-13-7-5-8-14-20,21-15-9-6-10-16-21)19-25-22-17-11-3-4-12-18-24-22/h5-10,13-16H,2-4,11-12,17-19H2,1H3,(H,24,25).
What are the key properties of N-(2,2-diphenylbutyl)-2,3,4,5,6,7-hexahydroazocin-8-amine?
N-(2,2-diphenylbutyl)-2,3,4,5,6,7-hexahydroazocin-8-amine has a molecular weight of 334.51 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diphenylbutyl)-2,3,4,5,6,7-hexahydroazocin-8-amine is sourced from PubChem (CID 19812956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).