N-(2,3,4,5,6,7-hexahydroazocin-8-yl)-N-methylacetamide

C10H18N2O — CID 45120209

IUPACN-(2,3,4,5,6,7-hexahydroazocin-8-yl)-N-methylacetamide
SMILESCC(=O)N(C)/C1=N/CCCCCC1
InChIInChI=1S/C10H18N2O/c1-9(13)12(2)10-7-5-3-4-6-8-11-10/h3-8H2,1-2H3/b11-10+
InChIKeyIYWHWHARKADKPT-ZHACJKMWSA-N
MW182.27 g/mol
LogP1.83
Rot. Bonds

About N-(2,3,4,5,6,7-hexahydroazocin-8-yl)-N-methylacetamide

N-(2,3,4,5,6,7-hexahydroazocin-8-yl)-N-methylacetamide (PubChem CID 45120209) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N-(2,3,4,5,6,7-hexahydroazocin-8-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(2,3,4,5,6,7-hexahydroazocin-8-yl)-N-methylacetamide
PubChem CID45120209
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN-(2,3,4,5,6,7-hexahydroazocin-8-yl)-N-methylacetamide
SMILESCC(=O)N(C)/C1=N/CCCCCC1
InChIInChI=1S/C10H18N2O/c1-9(13)12(2)10-7-5-3-4-6-8-11-10/h3-8H2,1-2H3/b11-10+
InChIKeyIYWHWHARKADKPT-ZHACJKMWSA-N
XLogP1.83
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,3,4,5,6,7-hexahydroazocin-8-yl)-N-methylacetamide?
The IUPAC name of N-(2,3,4,5,6,7-hexahydroazocin-8-yl)-N-methylacetamide (CID 45120209) is N-(2,3,4,5,6,7-hexahydroazocin-8-yl)-N-methylacetamide.
What is the SMILES notation for N-(2,3,4,5,6,7-hexahydroazocin-8-yl)-N-methylacetamide?
The canonical SMILES for N-(2,3,4,5,6,7-hexahydroazocin-8-yl)-N-methylacetamide is CC(=O)N(C)/C1=N/CCCCCC1.
What is the InChIKey of N-(2,3,4,5,6,7-hexahydroazocin-8-yl)-N-methylacetamide?
The InChIKey is IYWHWHARKADKPT-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H18N2O/c1-9(13)12(2)10-7-5-3-4-6-8-11-10/h3-8H2,1-2H3/b11-10+.
What are the key properties of N-(2,3,4,5,6,7-hexahydroazocin-8-yl)-N-methylacetamide?
N-(2,3,4,5,6,7-hexahydroazocin-8-yl)-N-methylacetamide has a molecular weight of 182.27 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4,5,6,7-hexahydroazocin-8-yl)-N-methylacetamide is sourced from PubChem (CID 45120209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).