2-[cyanomethyl(methyl)amino]-N-cyclopropylacetamide

C8H13N3O — CID 60677002

IUPAC2-[cyanomethyl(methyl)amino]-N-cyclopropylacetamide
SMILESCN(CC#N)CC(=O)NC1CC1
InChIInChI=1S/C8H13N3O/c1-11(5-4-9)6-8(12)10-7-2-3-7/h7H,2-3,5-6H2,1H3,(H,10,12)
InChIKeyDRRDIMSUHQKUQN-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.28
Rot. Bonds4

About 2-[cyanomethyl(methyl)amino]-N-cyclopropylacetamide

2-[cyanomethyl(methyl)amino]-N-cyclopropylacetamide (PubChem CID 60677002) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-[cyanomethyl(methyl)amino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[cyanomethyl(methyl)amino]-N-cyclopropylacetamide
PubChem CID60677002
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-[cyanomethyl(methyl)amino]-N-cyclopropylacetamide
SMILESCN(CC#N)CC(=O)NC1CC1
InChIInChI=1S/C8H13N3O/c1-11(5-4-9)6-8(12)10-7-2-3-7/h7H,2-3,5-6H2,1H3,(H,10,12)
InChIKeyDRRDIMSUHQKUQN-UHFFFAOYSA-N
XLogP-0.28
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-2-[methyl(prop-2-ynyl)amino]acetamide
CID 60670124
N-(2-cyanoethyl)-3-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-methylpropanamide
CID 55002666
2-[1-cyanoethyl(methyl)amino]-N-cyclopropylacetamide
CID 60670090
3-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide
CID 60700103
2-[cyanomethyl(methyl)amino]-N-propan-2-ylacetamide
CID 60677035
2-[cyanomethyl(methyl)amino]-N-[(2-methylcyclohexyl)carbamoyl]acetamide
CID 60616778
N-cyclopropyl-2-[(3-cyclopropyl-2-oxopropyl)-methylamino]acetamide
CID 58444119
2-[methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid
CID 43442686
N-cyclopropyl-2-[methoxy(methyl)amino]acetamide
CID 131224480
2-[1-cyanopropan-2-yl(methyl)amino]-N-cyclopentylacetamide
CID 63228388
N-cyclopentyl-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
CID 78809352
2-[2-(4-cyanophenoxy)ethyl-methylamino]-N-cyclopropylacetamide
CID 60670088

Frequently Asked Questions

What is the IUPAC name of 2-[cyanomethyl(methyl)amino]-N-cyclopropylacetamide?
The IUPAC name of 2-[cyanomethyl(methyl)amino]-N-cyclopropylacetamide (CID 60677002) is 2-[cyanomethyl(methyl)amino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[cyanomethyl(methyl)amino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[cyanomethyl(methyl)amino]-N-cyclopropylacetamide is CN(CC#N)CC(=O)NC1CC1.
What is the InChIKey of 2-[cyanomethyl(methyl)amino]-N-cyclopropylacetamide?
The InChIKey is DRRDIMSUHQKUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-11(5-4-9)6-8(12)10-7-2-3-7/h7H,2-3,5-6H2,1H3,(H,10,12).
What are the key properties of 2-[cyanomethyl(methyl)amino]-N-cyclopropylacetamide?
2-[cyanomethyl(methyl)amino]-N-cyclopropylacetamide has a molecular weight of 167.21 g/mol, XLogP of -0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyanomethyl(methyl)amino]-N-cyclopropylacetamide is sourced from PubChem (CID 60677002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).