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-propylacetamide
CID 4429965
n-Butyl-2-cyanoacetamide
CID 255865
2-cyano-N-(propan-2-yl)acetamide
CID 735795
2-cyano-N-cyclopropylacetamide
CID 2167884
L-Alanylglycinamide
CID 7019037
2-Amino-N-isopropylacetamide
CID 533849
2-Cyano-N-ethylacetamide
CID 270362
2-((1-Hydroxyethylidene)amino)-N-methylpropanimidic acid
CID 141892
2-Amino-N-ethylpropanamide
CID 541608
Isopropylpropionamid
CID 347475
N-(2-Aminoethyl)propanamide
CID 4551317
2-amino-N-propylpropanamide
CID 4962196

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).