2-amino-N-(1-cyanobutan-2-yl)propanamide

C8H15N3O — CID 62647087

IUPAC2-amino-N-(1-cyanobutan-2-yl)propanamide
SMILESCCC(CC#N)NC(=O)C(C)N
InChIInChI=1S/C8H15N3O/c1-3-7(4-5-9)11-8(12)6(2)10/h6-7H,3-4,10H2,1-2H3,(H,11,12)
InChIKeyVEBIRLIGTAJDCP-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.14
Rot. Bonds4

About 2-amino-N-(1-cyanobutan-2-yl)propanamide

2-amino-N-(1-cyanobutan-2-yl)propanamide (PubChem CID 62647087) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 2-amino-N-(1-cyanobutan-2-yl)propanamide.

Molecular Properties

Compound Name2-amino-N-(1-cyanobutan-2-yl)propanamide
PubChem CID62647087
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name2-amino-N-(1-cyanobutan-2-yl)propanamide
SMILESCCC(CC#N)NC(=O)C(C)N
InChIInChI=1S/C8H15N3O/c1-3-7(4-5-9)11-8(12)6(2)10/h6-7H,3-4,10H2,1-2H3,(H,11,12)
InChIKeyVEBIRLIGTAJDCP-UHFFFAOYSA-N
XLogP0.14
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-pentan-3-ylpropanamide
CID 14333664
(2S)-2-amino-N-(1-cyanopropan-2-yl)propanamide
CID 62093737
2-amino-N-(1-cyanobutan-2-yl)-2-(4-methylphenyl)acetamide
CID 106312349
1-(1-cyanobutan-2-yl)-3-ethylurea
CID 62647071
(2S,3S)-2-amino-N-hex-5-yn-3-yl-3-methylpentanamide
CID 104864186
2-(butan-2-ylamino)-N-(1-cyanobutan-2-yl)acetamide
CID 62645665
N-(1-cyanobutan-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66475936
1-tert-butyl-3-(1-cyanobutan-2-yl)urea
CID 62646888
(2S)-2-amino-N-(1,3-diaminopropan-2-yl)propanamide
CID 131850934
6-amino-N-(1-cyanobutan-2-yl)hexanamide
CID 62645663
N-(1-cyanobutan-2-yl)-4-hydroxybutanamide
CID 79193062
methyl 2-(1-cyanobutan-2-ylamino)-3-methylbutanoate
CID 43452264

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-cyanobutan-2-yl)propanamide?
The IUPAC name of 2-amino-N-(1-cyanobutan-2-yl)propanamide (CID 62647087) is 2-amino-N-(1-cyanobutan-2-yl)propanamide.
What is the SMILES notation for 2-amino-N-(1-cyanobutan-2-yl)propanamide?
The canonical SMILES for 2-amino-N-(1-cyanobutan-2-yl)propanamide is CCC(CC#N)NC(=O)C(C)N.
What is the InChIKey of 2-amino-N-(1-cyanobutan-2-yl)propanamide?
The InChIKey is VEBIRLIGTAJDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-3-7(4-5-9)11-8(12)6(2)10/h6-7H,3-4,10H2,1-2H3,(H,11,12).
What are the key properties of 2-amino-N-(1-cyanobutan-2-yl)propanamide?
2-amino-N-(1-cyanobutan-2-yl)propanamide has a molecular weight of 169.23 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-cyanobutan-2-yl)propanamide is sourced from PubChem (CID 62647087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).