N-(2-cyanopropyl)-2-(cyclopropylamino)acetamide

C9H15N3O — CID 62651694

IUPACN-(2-cyanopropyl)-2-(cyclopropylamino)acetamide
SMILESCC(C#N)CNC(=O)CNC1CC1
InChIInChI=1S/C9H15N3O/c1-7(4-10)5-12-9(13)6-11-8-2-3-8/h7-8,11H,2-3,5-6H2,1H3,(H,12,13)
InChIKeyZDIAHZRJEPPIGH-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.01
Rot. Bonds5

About N-(2-cyanopropyl)-2-(cyclopropylamino)acetamide

N-(2-cyanopropyl)-2-(cyclopropylamino)acetamide (PubChem CID 62651694) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is N-(2-cyanopropyl)-2-(cyclopropylamino)acetamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-2-(cyclopropylamino)acetamide
PubChem CID62651694
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC NameN-(2-cyanopropyl)-2-(cyclopropylamino)acetamide
SMILESCC(C#N)CNC(=O)CNC1CC1
InChIInChI=1S/C9H15N3O/c1-7(4-10)5-12-9(13)6-11-8-2-3-8/h7-8,11H,2-3,5-6H2,1H3,(H,12,13)
InChIKeyZDIAHZRJEPPIGH-UHFFFAOYSA-N
XLogP0.01
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-N-(2,3-dimethylbutyl)acetamide
CID 64598291
2-(cyclopropylamino)-N-(2-methyl-3-methylsulfanylpropyl)acetamide
CID 63960182
4-[[2-(2-methylpropylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
CID 60809879
4-(2-cyanopropylamino)cyclohexane-1-carboxamide
CID 61043742
N-(2-cyanopropyl)-2-(thian-4-yl)acetamide
CID 80709073
2-(cyclopropylamino)-N-(3,3-difluoro-2-hydroxypropyl)acetamide
CID 103843951
3-[[2-(cyclopropylamino)acetyl]amino]-2-hydroxypropanamide
CID 106175640
N-(cyanomethyl)-2-(cyclohexylamino)acetamide
CID 28565070
2-(cyclopentylamino)-N-(2,3,3-trimethylbutyl)acetamide
CID 83142014
3-[(1-acetylpiperidin-4-yl)amino]-2-methylpropanenitrile
CID 60665962
N-cyano-2-(cyclopropylamino)acetamide
CID 79194545
N-methyl-2-[(4-propan-2-ylcyclohexyl)amino]acetamide
CID 62701981

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-2-(cyclopropylamino)acetamide?
The IUPAC name of N-(2-cyanopropyl)-2-(cyclopropylamino)acetamide (CID 62651694) is N-(2-cyanopropyl)-2-(cyclopropylamino)acetamide.
What is the SMILES notation for N-(2-cyanopropyl)-2-(cyclopropylamino)acetamide?
The canonical SMILES for N-(2-cyanopropyl)-2-(cyclopropylamino)acetamide is CC(C#N)CNC(=O)CNC1CC1.
What is the InChIKey of N-(2-cyanopropyl)-2-(cyclopropylamino)acetamide?
The InChIKey is ZDIAHZRJEPPIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7(4-10)5-12-9(13)6-11-8-2-3-8/h7-8,11H,2-3,5-6H2,1H3,(H,12,13).
What are the key properties of N-(2-cyanopropyl)-2-(cyclopropylamino)acetamide?
N-(2-cyanopropyl)-2-(cyclopropylamino)acetamide has a molecular weight of 181.24 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-(2-cyanopropyl)-2-(cyclopropylamino)acetamide is sourced from PubChem (CID 62651694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).