5-cyanopentanamide;hexanediamide

C12H22N4O3 — CID 19688971

IUPAC5-cyanopentanamide;hexanediamide
SMILESN#CCCCCC(N)=O.NC(=O)CCCCC(N)=O
InChIInChI=1S/C6H12N2O2.C6H10N2O/c7-5(9)3-1-2-4-6(8)10;7-5-3-1-2-4-6(8)9/h1-4H2,(H2,7,9)(H2,8,10);1-4H2,(H2,8,9)
InChIKeyXNSOYOMTTIWOIE-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.07
Rot. Bonds9

About 5-cyanopentanamide;hexanediamide

5-cyanopentanamide;hexanediamide (PubChem CID 19688971) has the molecular formula C12H22N4O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 5-cyanopentanamide;hexanediamide.

Molecular Properties

Compound Name5-cyanopentanamide;hexanediamide
PubChem CID19688971
Molecular FormulaC12H22N4O3
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC Name5-cyanopentanamide;hexanediamide
SMILESN#CCCCCC(N)=O.NC(=O)CCCCC(N)=O
InChIInChI=1S/C6H12N2O2.C6H10N2O/c7-5(9)3-1-2-4-6(8)10;7-5-3-1-2-4-6(8)9/h1-4H2,(H2,7,9)(H2,8,10);1-4H2,(H2,8,9)
InChIKeyXNSOYOMTTIWOIE-UHFFFAOYSA-N
XLogP0.07
TPSA153.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyanopentanamide;hexanediamide?
The IUPAC name of 5-cyanopentanamide;hexanediamide (CID 19688971) is 5-cyanopentanamide;hexanediamide.
What is the SMILES notation for 5-cyanopentanamide;hexanediamide?
The canonical SMILES for 5-cyanopentanamide;hexanediamide is N#CCCCCC(N)=O.NC(=O)CCCCC(N)=O.
What is the InChIKey of 5-cyanopentanamide;hexanediamide?
The InChIKey is XNSOYOMTTIWOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2.C6H10N2O/c7-5(9)3-1-2-4-6(8)10;7-5-3-1-2-4-6(8)9/h1-4H2,(H2,7,9)(H2,8,10);1-4H2,(H2,8,9).
What are the key properties of 5-cyanopentanamide;hexanediamide?
5-cyanopentanamide;hexanediamide has a molecular weight of 270.33 g/mol, XLogP of 0.07, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyanopentanamide;hexanediamide is sourced from PubChem (CID 19688971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).