2-cyano-N-hexan-3-ylacetamide;ethane

C13H28N2O — CID 143085369

IUPAC2-cyano-N-hexan-3-ylacetamide;ethane
SMILESCC.CC.CCCC(CC)NC(=O)CC#N
InChIInChI=1S/C9H16N2O.2C2H6/c1-3-5-8(4-2)11-9(12)6-7-10;2*1-2/h8H,3-6H2,1-2H3,(H,11,12);2*1-2H3
InChIKeyYERMECKLHQQFLY-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.65
Rot. Bonds5

About 2-cyano-N-hexan-3-ylacetamide;ethane

2-cyano-N-hexan-3-ylacetamide;ethane (PubChem CID 143085369) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-cyano-N-hexan-3-ylacetamide;ethane.

Molecular Properties

Compound Name2-cyano-N-hexan-3-ylacetamide;ethane
PubChem CID143085369
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-cyano-N-hexan-3-ylacetamide;ethane
SMILESCC.CC.CCCC(CC)NC(=O)CC#N
InChIInChI=1S/C9H16N2O.2C2H6/c1-3-5-8(4-2)11-9(12)6-7-10;2*1-2/h8H,3-6H2,1-2H3,(H,11,12);2*1-2H3
InChIKeyYERMECKLHQQFLY-UHFFFAOYSA-N
XLogP3.65
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-hexan-3-ylacetamide;ethane?
The IUPAC name of 2-cyano-N-hexan-3-ylacetamide;ethane (CID 143085369) is 2-cyano-N-hexan-3-ylacetamide;ethane.
What is the SMILES notation for 2-cyano-N-hexan-3-ylacetamide;ethane?
The canonical SMILES for 2-cyano-N-hexan-3-ylacetamide;ethane is CC.CC.CCCC(CC)NC(=O)CC#N.
What is the InChIKey of 2-cyano-N-hexan-3-ylacetamide;ethane?
The InChIKey is YERMECKLHQQFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O.2C2H6/c1-3-5-8(4-2)11-9(12)6-7-10;2*1-2/h8H,3-6H2,1-2H3,(H,11,12);2*1-2H3.
What are the key properties of 2-cyano-N-hexan-3-ylacetamide;ethane?
2-cyano-N-hexan-3-ylacetamide;ethane has a molecular weight of 228.38 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-hexan-3-ylacetamide;ethane is sourced from PubChem (CID 143085369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).