2-[[2-(dimethylamino)ethyliminomethylamino]methylideneamino]-N-methylpropanamide

C10H21N5O — CID 90245901

IUPAC2-[[2-(dimethylamino)ethyliminomethylamino]methylideneamino]-N-methylpropanamide
SMILESCNC(=O)C(C)/N=C/N/C=N/CCN(C)C
InChIInChI=1S/C10H21N5O/c1-9(10(16)11-2)14-8-13-7-12-5-6-15(3)4/h7-9H,5-6H2,1-4H3,(H,11,16)(H,12,13,14)
InChIKeyBIUCJBBLXQMARC-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.67
Rot. Bonds7

About 2-[[2-(dimethylamino)ethyliminomethylamino]methylideneamino]-N-methylpropanamide

2-[[2-(dimethylamino)ethyliminomethylamino]methylideneamino]-N-methylpropanamide (PubChem CID 90245901) has the molecular formula C10H21N5O and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)ethyliminomethylamino]methylideneamino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[[2-(dimethylamino)ethyliminomethylamino]methylideneamino]-N-methylpropanamide
PubChem CID90245901
Molecular FormulaC10H21N5O
Molecular Weight227.31 g/mol
Exact Mass227.17
IUPAC Name2-[[2-(dimethylamino)ethyliminomethylamino]methylideneamino]-N-methylpropanamide
SMILESCNC(=O)C(C)/N=C/N/C=N/CCN(C)C
InChIInChI=1S/C10H21N5O/c1-9(10(16)11-2)14-8-13-7-12-5-6-15(3)4/h7-9H,5-6H2,1-4H3,(H,11,16)(H,12,13,14)
InChIKeyBIUCJBBLXQMARC-UHFFFAOYSA-N
XLogP-0.67
TPSA69.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[2-(dimethylamino)ethyliminomethylamino]methylideneamino]-N-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Hydro-5-methylimidazol-4-one
CID 19693843
2-[[(butan-2-ylamino)-(3-fluoropropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110035899
(4R)-4-methyl-1,4-dihydroimidazol-5-one
CID 57314387
(2S)-2-amino-N-[4-(diaminomethylideneamino)butyl]propanamide
CID 57586152
4-[[amino-[[N'-[2-(methylamino)-2-oxoethyl]carbamimidoyl]amino]methylidene]amino]butyl-trimethylazanium
CID 59333027
2-amino-N-[4-(diaminomethylideneamino)butyl]propanamide
CID 76611408
2-(diaminomethylideneamino)-N-[(2S)-1-(methylamino)butan-2-yl]acetamide
CID 89315102
2-(aminomethylideneamino)-N-[3-(dimethylamino)propyl]propanamide
CID 90245670
2-[[3-[formyl(methyl)amino]propyliminomethylamino]methylideneamino]-N-methylpropanamide
CID 90245681
N-[3-[ethyl(methyl)amino]propyl]-2-[(methylideneamino)methylideneamino]acetamide
CID 90245695
N-methyl-2-[(methyliminomethylamino)methylideneamino]propanamide
CID 90245698
2-[[amino-[ethyl(methyl)amino]methylidene]amino]-N-methylpropanamide
CID 90245701

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)ethyliminomethylamino]methylideneamino]-N-methylpropanamide?
The IUPAC name of 2-[[2-(dimethylamino)ethyliminomethylamino]methylideneamino]-N-methylpropanamide (CID 90245901) is 2-[[2-(dimethylamino)ethyliminomethylamino]methylideneamino]-N-methylpropanamide.
What is the SMILES notation for 2-[[2-(dimethylamino)ethyliminomethylamino]methylideneamino]-N-methylpropanamide?
The canonical SMILES for 2-[[2-(dimethylamino)ethyliminomethylamino]methylideneamino]-N-methylpropanamide is CNC(=O)C(C)/N=C/N/C=N/CCN(C)C.
What is the InChIKey of 2-[[2-(dimethylamino)ethyliminomethylamino]methylideneamino]-N-methylpropanamide?
The InChIKey is BIUCJBBLXQMARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N5O/c1-9(10(16)11-2)14-8-13-7-12-5-6-15(3)4/h7-9H,5-6H2,1-4H3,(H,11,16)(H,12,13,14).
What are the key properties of 2-[[2-(dimethylamino)ethyliminomethylamino]methylideneamino]-N-methylpropanamide?
2-[[2-(dimethylamino)ethyliminomethylamino]methylideneamino]-N-methylpropanamide has a molecular weight of 227.31 g/mol, XLogP of -0.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylamino)ethyliminomethylamino]methylideneamino]-N-methylpropanamide is sourced from PubChem (CID 90245901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).