2-cyano-N-hexan-2-ylbutanamide

C11H20N2O — CID 62199313

IUPAC2-cyano-N-hexan-2-ylbutanamide
SMILESCCCCC(C)NC(=O)C(C#N)CC
InChIInChI=1S/C11H20N2O/c1-4-6-7-9(3)13-11(14)10(5-2)8-12/h9-10H,4-7H2,1-3H3,(H,13,14)
InChIKeyTWNIMNBAGCEJMA-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.23
Rot. Bonds6

About 2-cyano-N-hexan-2-ylbutanamide

2-cyano-N-hexan-2-ylbutanamide (PubChem CID 62199313) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-cyano-N-hexan-2-ylbutanamide.

Molecular Properties

Compound Name2-cyano-N-hexan-2-ylbutanamide
PubChem CID62199313
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-cyano-N-hexan-2-ylbutanamide
SMILESCCCCC(C)NC(=O)C(C#N)CC
InChIInChI=1S/C11H20N2O/c1-4-6-7-9(3)13-11(14)10(5-2)8-12/h9-10H,4-7H2,1-3H3,(H,13,14)
InChIKeyTWNIMNBAGCEJMA-UHFFFAOYSA-N
XLogP2.23
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyano-N-[(2R)-1-hydroxypropan-2-yl]pentanamide
CID 107860521
2-cyano-N-[(2R)-hexan-2-yl]acetamide
CID 94372249
(2S)-2-amino-N-hexan-2-ylbutanamide
CID 79023466
2-cyano-N-[1-(dimethylamino)propan-2-yl]pentanamide
CID 82938971
N-hexan-2-ylbutanamide
CID 64592038
N,N'-di(heptan-2-yl)-2,3-dihydroxybutanediamide
CID 21340416
2-(hexan-2-ylamino)-N-pentan-2-ylpropanamide
CID 62201162
N-butan-2-yl-2-propylhexanamide
CID 173163059
(2R)-2-cyano-N-[(1R)-1-phenylethyl]butanamide
CID 94010231
N-hexan-2-ylacetamide;methane
CID 161054772
(2R)-2-amino-N-heptan-2-ylpropanamide
CID 78972371
(2-cyanobutanoylamino)urea
CID 14198973

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-hexan-2-ylbutanamide?
The IUPAC name of 2-cyano-N-hexan-2-ylbutanamide (CID 62199313) is 2-cyano-N-hexan-2-ylbutanamide.
What is the SMILES notation for 2-cyano-N-hexan-2-ylbutanamide?
The canonical SMILES for 2-cyano-N-hexan-2-ylbutanamide is CCCCC(C)NC(=O)C(C#N)CC.
What is the InChIKey of 2-cyano-N-hexan-2-ylbutanamide?
The InChIKey is TWNIMNBAGCEJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-4-6-7-9(3)13-11(14)10(5-2)8-12/h9-10H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 2-cyano-N-hexan-2-ylbutanamide?
2-cyano-N-hexan-2-ylbutanamide has a molecular weight of 196.29 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-hexan-2-ylbutanamide is sourced from PubChem (CID 62199313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).