2-amino-N-cyanopentanamide

C6H11N3O — CID 79195129

IUPAC2-amino-N-cyanopentanamide
SMILESCCCC(N)C(=O)NC#N
InChIInChI=1S/C6H11N3O/c1-2-3-5(8)6(10)9-4-7/h5H,2-3,8H2,1H3,(H,9,10)
InChIKeyJNTZNNPVADHJLG-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.29
Rot. Bonds3

About 2-amino-N-cyanopentanamide

2-amino-N-cyanopentanamide (PubChem CID 79195129) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 2-amino-N-cyanopentanamide.

Molecular Properties

Compound Name2-amino-N-cyanopentanamide
PubChem CID79195129
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name2-amino-N-cyanopentanamide
SMILESCCCC(N)C(=O)NC#N
InChIInChI=1S/C6H11N3O/c1-2-3-5(8)6(10)9-4-7/h5H,2-3,8H2,1H3,(H,9,10)
InChIKeyJNTZNNPVADHJLG-UHFFFAOYSA-N
XLogP-0.29
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-cyano-4-methylsulfanylbutanamide
CID 79193616
2-amino-N-propylpentanamide
CID 43649977
(2R)-2-amino-N-carbamoylpentanamide
CID 107570048
2-amino-N'-methylpentanehydrazide
CID 116849316
N-cyano-2-pentylheptanamide
CID 138478064
2-amino-N-ethoxypentanamide
CID 64974803
(2S)-2-amino-N-(2-hydroxyethyl)pentanamide
CID 89064333
(2R)-2-amino-N-butylpentanamide
CID 82668431
(2S)-2-amino-N-hexan-3-ylpentanamide
CID 107569552
2-amino-N-(3-methylbutan-2-yl)pentanamide
CID 43650228
methyl 2-aminopentanoate
CID 533890
3-amino-N-methyl-2-oxohexanamide
CID 89245081

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyanopentanamide?
The IUPAC name of 2-amino-N-cyanopentanamide (CID 79195129) is 2-amino-N-cyanopentanamide.
What is the SMILES notation for 2-amino-N-cyanopentanamide?
The canonical SMILES for 2-amino-N-cyanopentanamide is CCCC(N)C(=O)NC#N.
What is the InChIKey of 2-amino-N-cyanopentanamide?
The InChIKey is JNTZNNPVADHJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-2-3-5(8)6(10)9-4-7/h5H,2-3,8H2,1H3,(H,9,10).
What are the key properties of 2-amino-N-cyanopentanamide?
2-amino-N-cyanopentanamide has a molecular weight of 141.17 g/mol, XLogP of -0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyanopentanamide is sourced from PubChem (CID 79195129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).