2-(1-aminoethylideneamino)-N-methylpropanamide

C6H13N3O — CID 63173573

IUPAC2-(1-aminoethylideneamino)-N-methylpropanamide
SMILESCNC(=O)C(C)/N=C(\C)N
InChIInChI=1S/C6H13N3O/c1-4(6(10)8-3)9-5(2)7/h4H,1-3H3,(H2,7,9)(H,8,10)
InChIKeySPNIEQYKRLBDFH-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.50
Rot. Bonds2

About 2-(1-aminoethylideneamino)-N-methylpropanamide

2-(1-aminoethylideneamino)-N-methylpropanamide (PubChem CID 63173573) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is 2-(1-aminoethylideneamino)-N-methylpropanamide.

Molecular Properties

Compound Name2-(1-aminoethylideneamino)-N-methylpropanamide
PubChem CID63173573
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC Name2-(1-aminoethylideneamino)-N-methylpropanamide
SMILESCNC(=O)C(C)/N=C(\C)N
InChIInChI=1S/C6H13N3O/c1-4(6(10)8-3)9-5(2)7/h4H,1-3H3,(H2,7,9)(H,8,10)
InChIKeySPNIEQYKRLBDFH-UHFFFAOYSA-N
XLogP-0.50
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(ethylideneamino)-N-methylpropanamide
CID 23384096
2-[(C-methanimidoyl-N-methylcarbonimidoyl)amino]-N-methylpropanamide
CID 59091067
2-(1-aminoethylideneamino)-N-propylacetamide
CID 63173609
2-(1-aminoethylideneamino)-N-propan-2-ylacetamide
CID 63173658
N,2-dimethyl-4,5-dihydro-1H-imidazole-5-carboxamide
CID 90126408
N-methyl-2-[(methyliminomethylamino)methylideneamino]propanamide
CID 90245698
N-methyl-2-[1-(methylideneamino)ethylideneamino]propanamide
CID 90245733
2-(aminomethylideneamino)-N-methylpropanamide
CID 90245884
2-amino-3-(diaminomethylideneamino)-N-methylpropanamide
CID 118500669
2,3-diamino-3-imino-N-methylpropanamide
CID 123527174
6-Amino-2,4-dimethyl-2,5-dihydropyrazin-3-one
CID 141299456
(2S)-2-[(2-amino-2-ethyliminoethyl)amino]propanamide
CID 144018622

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethylideneamino)-N-methylpropanamide?
The IUPAC name of 2-(1-aminoethylideneamino)-N-methylpropanamide (CID 63173573) is 2-(1-aminoethylideneamino)-N-methylpropanamide.
What is the SMILES notation for 2-(1-aminoethylideneamino)-N-methylpropanamide?
The canonical SMILES for 2-(1-aminoethylideneamino)-N-methylpropanamide is CNC(=O)C(C)/N=C(\C)N.
What is the InChIKey of 2-(1-aminoethylideneamino)-N-methylpropanamide?
The InChIKey is SPNIEQYKRLBDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O/c1-4(6(10)8-3)9-5(2)7/h4H,1-3H3,(H2,7,9)(H,8,10).
What are the key properties of 2-(1-aminoethylideneamino)-N-methylpropanamide?
2-(1-aminoethylideneamino)-N-methylpropanamide has a molecular weight of 143.19 g/mol, XLogP of -0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethylideneamino)-N-methylpropanamide is sourced from PubChem (CID 63173573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).