2-amino-2-cyanohexanamide

C7H13N3O — CID 174604442

IUPAC2-amino-2-cyanohexanamide
SMILESCCCCC(N)(C#N)C(N)=O
InChIInChI=1S/C7H13N3O/c1-2-3-4-7(10,5-8)6(9)11/h2-4,10H2,1H3,(H2,9,11)
InChIKeyNIKZNTHWGGBDPC-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.12
Rot. Bonds4

About 2-amino-2-cyanohexanamide

2-amino-2-cyanohexanamide (PubChem CID 174604442) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-amino-2-cyanohexanamide.

Molecular Properties

Compound Name2-amino-2-cyanohexanamide
PubChem CID174604442
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name2-amino-2-cyanohexanamide
SMILESCCCCC(N)(C#N)C(N)=O
InChIInChI=1S/C7H13N3O/c1-2-3-4-7(10,5-8)6(9)11/h2-4,10H2,1H3,(H2,9,11)
InChIKeyNIKZNTHWGGBDPC-UHFFFAOYSA-N
XLogP-0.12
TPSA92.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

amino 2-cyano-2-methylhexanoate
CID 175343745
2-tert-butyl-2-methylhexanamide
CID 175947607
2-butyl-2-(5-carbamoylnonan-5-ylamino)hexanamide
CID 173317820
2-ethyl-2-hydroxyhexanamide
CID 18943167
3-amino-3-butylheptan-2-one
CID 59925813
2-hydroxy-2-methylhexanenitrile
CID 10942429
2-cyano-2-ethylbutanamide
CID 29227
2-amino-2-methyltetradecanamide
CID 175155192
2,2,4,4-tetramethyloctanamide
CID 89265851
2,2-dimethylhexadecanamide
CID 23297438
2,2-dimethyldecanamide
CID 22596903
2-icosyl-2-pentyldocosanamide
CID 175538156

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyanohexanamide?
The IUPAC name of 2-amino-2-cyanohexanamide (CID 174604442) is 2-amino-2-cyanohexanamide.
What is the SMILES notation for 2-amino-2-cyanohexanamide?
The canonical SMILES for 2-amino-2-cyanohexanamide is CCCCC(N)(C#N)C(N)=O.
What is the InChIKey of 2-amino-2-cyanohexanamide?
The InChIKey is NIKZNTHWGGBDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-2-3-4-7(10,5-8)6(9)11/h2-4,10H2,1H3,(H2,9,11).
What are the key properties of 2-amino-2-cyanohexanamide?
2-amino-2-cyanohexanamide has a molecular weight of 155.20 g/mol, XLogP of -0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyanohexanamide is sourced from PubChem (CID 174604442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).