N-(2-aminopropyl)-2-cyanoacetamide

C6H11N3O — CID 117126576

IUPACN-(2-aminopropyl)-2-cyanoacetamide
SMILESCC(N)CNC(=O)CC#N
InChIInChI=1S/C6H11N3O/c1-5(8)4-9-6(10)2-3-7/h5H,2,4,8H2,1H3,(H,9,10)
InChIKeyLPHVKLDJKYHXRT-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.64
Rot. Bonds3

About N-(2-aminopropyl)-2-cyanoacetamide

N-(2-aminopropyl)-2-cyanoacetamide (PubChem CID 117126576) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is N-(2-aminopropyl)-2-cyanoacetamide.

Molecular Properties

Compound NameN-(2-aminopropyl)-2-cyanoacetamide
PubChem CID117126576
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC NameN-(2-aminopropyl)-2-cyanoacetamide
SMILESCC(N)CNC(=O)CC#N
InChIInChI=1S/C6H11N3O/c1-5(8)4-9-6(10)2-3-7/h5H,2,4,8H2,1H3,(H,9,10)
InChIKeyLPHVKLDJKYHXRT-UHFFFAOYSA-N
XLogP-0.64
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 ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-[3-[(2-cyanoacetyl)amino]-2-hydroxypropyl]acetamide
CID 11550341
2-cyano-N-(2-methyl-3-methylsulfanylpropyl)acetamide
CID 63959776
N-(2-aminopropyl)-2-propan-2-yloxyacetamide
CID 112603386
N-(2-aminopropyl)but-3-enamide
CID 63731694
N-(2-aminopropyl)-4-cyanobenzamide
CID 63732512
2-cyano-N-[(3S)-2,2,3,4-tetramethylpentyl]acetamide
CID 118600663
N-(2-aminopropyl)octadecanamide
CID 86003506
N-but-3-yn-2-yl-2-cyanoacetamide
CID 114417353
3-cyano-N-(2-methylpropyl)propanamide
CID 82111206
2-cyano-N-[(Z)-2-[(methylideneamino)methylideneamino]but-2-enyl]acetamide
CID 166689316
[2-(2-methylpropylamino)-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate
CID 2450511
potassium;hydride;3-oxobutanenitrile
CID 173335106

Frequently Asked Questions

What is the IUPAC name of N-(2-aminopropyl)-2-cyanoacetamide?
The IUPAC name of N-(2-aminopropyl)-2-cyanoacetamide (CID 117126576) is N-(2-aminopropyl)-2-cyanoacetamide.
What is the SMILES notation for N-(2-aminopropyl)-2-cyanoacetamide?
The canonical SMILES for N-(2-aminopropyl)-2-cyanoacetamide is CC(N)CNC(=O)CC#N.
What is the InChIKey of N-(2-aminopropyl)-2-cyanoacetamide?
The InChIKey is LPHVKLDJKYHXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-5(8)4-9-6(10)2-3-7/h5H,2,4,8H2,1H3,(H,9,10).
What are the key properties of N-(2-aminopropyl)-2-cyanoacetamide?
N-(2-aminopropyl)-2-cyanoacetamide has a molecular weight of 141.17 g/mol, XLogP of -0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopropyl)-2-cyanoacetamide is sourced from PubChem (CID 117126576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).