2-(cyanomethylamino)-N-ethyl-N-methylpropanamide

C8H15N3O — CID 103108493

IUPAC2-(cyanomethylamino)-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)NCC#N
InChIInChI=1S/C8H15N3O/c1-4-11(3)8(12)7(2)10-6-5-9/h7,10H,4,6H2,1-3H3
InChIKeyRTSIYAWMWSVSDR-UHFFFAOYSA-N
MW169.23 g/mol
LogP-0.03
Rot. Bonds4

About 2-(cyanomethylamino)-N-ethyl-N-methylpropanamide

2-(cyanomethylamino)-N-ethyl-N-methylpropanamide (PubChem CID 103108493) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 2-(cyanomethylamino)-N-ethyl-N-methylpropanamide.

Molecular Properties

Compound Name2-(cyanomethylamino)-N-ethyl-N-methylpropanamide
PubChem CID103108493
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name2-(cyanomethylamino)-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)NCC#N
InChIInChI=1S/C8H15N3O/c1-4-11(3)8(12)7(2)10-6-5-9/h7,10H,4,6H2,1-3H3
InChIKeyRTSIYAWMWSVSDR-UHFFFAOYSA-N
XLogP-0.03
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.03
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

2-[[2-(dimethylamino)-2-oxoethyl]amino]-N-ethyl-N-methylpropanamide
CID 103108801
2-(butylamino)-N-ethyl-N-methylpropanamide
CID 103107906
N-ethyl-N-methyl-2-(propan-2-ylamino)propanamide
CID 103107904
2-(cyclopropylmethylamino)-N-ethyl-N-methylpropanamide
CID 103106979
N-ethyl-N-methyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide
CID 103108695
N-ethyl-2-(hexylamino)-N-methylpropanamide
CID 103107347
N-ethyl-2-[(1-hydroxycyclopentyl)methylamino]-N-methylpropanamide
CID 103108861
methyl 4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]butanoate
CID 103108728
2-cyano-2-ethyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]butanamide
CID 103110179
N-ethyl-2-(2-ethylsulfanylethylamino)-N-methylpropanamide
CID 103108877
N-ethyl-2-[(3-hydroxy-3-methylbutyl)amino]-N-methylpropanamide
CID 103108355
2-[[2-(carbamoylamino)-2-oxoethyl]amino]-N-ethyl-N-methylpropanamide
CID 103108802

Frequently Asked Questions

What is the IUPAC name of 2-(cyanomethylamino)-N-ethyl-N-methylpropanamide?
The IUPAC name of 2-(cyanomethylamino)-N-ethyl-N-methylpropanamide (CID 103108493) is 2-(cyanomethylamino)-N-ethyl-N-methylpropanamide.
What is the SMILES notation for 2-(cyanomethylamino)-N-ethyl-N-methylpropanamide?
The canonical SMILES for 2-(cyanomethylamino)-N-ethyl-N-methylpropanamide is CCN(C)C(=O)C(C)NCC#N.
What is the InChIKey of 2-(cyanomethylamino)-N-ethyl-N-methylpropanamide?
The InChIKey is RTSIYAWMWSVSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-4-11(3)8(12)7(2)10-6-5-9/h7,10H,4,6H2,1-3H3.
What are the key properties of 2-(cyanomethylamino)-N-ethyl-N-methylpropanamide?
2-(cyanomethylamino)-N-ethyl-N-methylpropanamide has a molecular weight of 169.23 g/mol, XLogP of -0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyanomethylamino)-N-ethyl-N-methylpropanamide is sourced from PubChem (CID 103108493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).