N-(1-cyanopropan-2-yl)-3-(methylamino)propanamide

C8H15N3O — CID 62094089

IUPACN-(1-cyanopropan-2-yl)-3-(methylamino)propanamide
SMILESCNCCC(=O)NC(C)CC#N
InChIInChI=1S/C8H15N3O/c1-7(3-5-9)11-8(12)4-6-10-2/h7,10H,3-4,6H2,1-2H3,(H,11,12)
InChIKeyGPMLWFCAPRNOJY-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.01
Rot. Bonds5

About N-(1-cyanopropan-2-yl)-3-(methylamino)propanamide

N-(1-cyanopropan-2-yl)-3-(methylamino)propanamide (PubChem CID 62094089) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is N-(1-cyanopropan-2-yl)-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-(1-cyanopropan-2-yl)-3-(methylamino)propanamide
PubChem CID62094089
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC NameN-(1-cyanopropan-2-yl)-3-(methylamino)propanamide
SMILESCNCCC(=O)NC(C)CC#N
InChIInChI=1S/C8H15N3O/c1-7(3-5-9)11-8(12)4-6-10-2/h7,10H,3-4,6H2,1-2H3,(H,11,12)
InChIKeyGPMLWFCAPRNOJY-UHFFFAOYSA-N
XLogP0.01
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-propylacetamide
CID 4429965
2-cyano-N-(propan-2-yl)acetamide
CID 735795
2-Cyano-N-ethylacetamide
CID 270362
N-(1-cyanoethyl)acetamide
CID 299369
3-amino-N-(propan-2-yl)propanamide hydrochloride
CID 16785935
3-Amino-N-isopropylpropanamide hydrochloride
CID 42938251
N-[3-(1-cyanopropylamino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 56823339
N-(2-cyanoethyl)propanamide
CID 15723053
2-Cyano-N-(1-methylpropyl)acetamide
CID 103651
N-(3-cyano-1,1,1-trifluoropropan-2-yl)acetamide;ethane
CID 155730393
N-(1-cyanobutyl)acetamide
CID 59373725
N-(3-amino-3-cyanopropyl)acetamide
CID 122707061

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropan-2-yl)-3-(methylamino)propanamide?
The IUPAC name of N-(1-cyanopropan-2-yl)-3-(methylamino)propanamide (CID 62094089) is N-(1-cyanopropan-2-yl)-3-(methylamino)propanamide.
What is the SMILES notation for N-(1-cyanopropan-2-yl)-3-(methylamino)propanamide?
The canonical SMILES for N-(1-cyanopropan-2-yl)-3-(methylamino)propanamide is CNCCC(=O)NC(C)CC#N.
What is the InChIKey of N-(1-cyanopropan-2-yl)-3-(methylamino)propanamide?
The InChIKey is GPMLWFCAPRNOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-7(3-5-9)11-8(12)4-6-10-2/h7,10H,3-4,6H2,1-2H3,(H,11,12).
What are the key properties of N-(1-cyanopropan-2-yl)-3-(methylamino)propanamide?
N-(1-cyanopropan-2-yl)-3-(methylamino)propanamide has a molecular weight of 169.23 g/mol, XLogP of 0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropan-2-yl)-3-(methylamino)propanamide is sourced from PubChem (CID 62094089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).