2-(butan-2-ylamino)-N-cyanoacetamide

C7H13N3O — CID 79194895

IUPAC2-(butan-2-ylamino)-N-cyanoacetamide
SMILESCCC(C)NCC(=O)NC#N
InChIInChI=1S/C7H13N3O/c1-3-6(2)9-4-7(11)10-5-8/h6,9H,3-4H2,1-2H3,(H,10,11)
InChIKeyULYNHWKIDTWRDR-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.03
Rot. Bonds4

About 2-(butan-2-ylamino)-N-cyanoacetamide

2-(butan-2-ylamino)-N-cyanoacetamide (PubChem CID 79194895) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N-cyanoacetamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N-cyanoacetamide
PubChem CID79194895
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name2-(butan-2-ylamino)-N-cyanoacetamide
SMILESCCC(C)NCC(=O)NC#N
InChIInChI=1S/C7H13N3O/c1-3-6(2)9-4-7(11)10-5-8/h6,9H,3-4H2,1-2H3,(H,10,11)
InChIKeyULYNHWKIDTWRDR-UHFFFAOYSA-N
XLogP-0.03
TPSA64.92 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 ≤ 5-0.03
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

2-(butan-2-ylamino)-N-(1-cyanobutan-2-yl)acetamide
CID 62645665
2-[[(2S)-butan-2-yl]amino]-N-[2-[[2-[[(2R)-butan-2-yl]amino]acetyl]amino]ethyl]acetamide
CID 26058062
(3R)-N-cyano-3-methylpentanamide
CID 153396008
2-(butan-2-ylamino)-N-(2-methylbutyl)acetamide
CID 62691817
1-(butan-2-ylamino)but-3-yn-2-one
CID 116556183
3-[[2-(butan-2-ylamino)acetyl]amino]-2-methylpropanoic acid
CID 62675191
2-(butan-2-ylamino)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide
CID 62521063
2-(butan-2-ylamino)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
CID 107865562
2-(butan-2-ylamino)-N-(2-methylcyclopropyl)acetamide
CID 62398768
2-(1-cyanopropan-2-ylamino)-N-propylacetamide
CID 60913977
2-[[(2S)-butan-2-yl]amino]-N,N-dimethylacetamide
CID 28565761
2-(butan-2-ylamino)-N-(2-cyanoethyl)-N-ethylacetamide
CID 60954185

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N-cyanoacetamide?
The IUPAC name of 2-(butan-2-ylamino)-N-cyanoacetamide (CID 79194895) is 2-(butan-2-ylamino)-N-cyanoacetamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N-cyanoacetamide?
The canonical SMILES for 2-(butan-2-ylamino)-N-cyanoacetamide is CCC(C)NCC(=O)NC#N.
What is the InChIKey of 2-(butan-2-ylamino)-N-cyanoacetamide?
The InChIKey is ULYNHWKIDTWRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-3-6(2)9-4-7(11)10-5-8/h6,9H,3-4H2,1-2H3,(H,10,11).
What are the key properties of 2-(butan-2-ylamino)-N-cyanoacetamide?
2-(butan-2-ylamino)-N-cyanoacetamide has a molecular weight of 155.20 g/mol, XLogP of -0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-N-cyanoacetamide is sourced from PubChem (CID 79194895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).