2-[[amino-[ethyl(methyl)amino]methylidene]amino]-N-methylpropanamide

C8H18N4O — CID 90245701

IUPAC2-[[amino-[ethyl(methyl)amino]methylidene]amino]-N-methylpropanamide
SMILESCCN(C)/C(N)=N/C(C)C(=O)NC
InChIInChI=1S/C8H18N4O/c1-5-12(4)8(9)11-6(2)7(13)10-3/h6H,5H2,1-4H3,(H2,9,11)(H,10,13)
InChIKeyIGTZXSBXJBIYHC-UHFFFAOYSA-N
MW186.26 g/mol
LogP-0.61
Rot. Bonds3

About 2-[[amino-[ethyl(methyl)amino]methylidene]amino]-N-methylpropanamide

2-[[amino-[ethyl(methyl)amino]methylidene]amino]-N-methylpropanamide (PubChem CID 90245701) has the molecular formula C8H18N4O and a molecular weight of 186.26 g/mol. Its IUPAC name is 2-[[amino-[ethyl(methyl)amino]methylidene]amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[[amino-[ethyl(methyl)amino]methylidene]amino]-N-methylpropanamide
PubChem CID90245701
Molecular FormulaC8H18N4O
Molecular Weight186.26 g/mol
Exact Mass186.15
IUPAC Name2-[[amino-[ethyl(methyl)amino]methylidene]amino]-N-methylpropanamide
SMILESCCN(C)/C(N)=N/C(C)C(=O)NC
InChIInChI=1S/C8H18N4O/c1-5-12(4)8(9)11-6(2)7(13)10-3/h6H,5H2,1-4H3,(H2,9,11)(H,10,13)
InChIKeyIGTZXSBXJBIYHC-UHFFFAOYSA-N
XLogP-0.61
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 5-0.61
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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Frequently Asked Questions

What is the IUPAC name of 2-[[amino-[ethyl(methyl)amino]methylidene]amino]-N-methylpropanamide?
The IUPAC name of 2-[[amino-[ethyl(methyl)amino]methylidene]amino]-N-methylpropanamide (CID 90245701) is 2-[[amino-[ethyl(methyl)amino]methylidene]amino]-N-methylpropanamide.
What is the SMILES notation for 2-[[amino-[ethyl(methyl)amino]methylidene]amino]-N-methylpropanamide?
The canonical SMILES for 2-[[amino-[ethyl(methyl)amino]methylidene]amino]-N-methylpropanamide is CCN(C)/C(N)=N/C(C)C(=O)NC.
What is the InChIKey of 2-[[amino-[ethyl(methyl)amino]methylidene]amino]-N-methylpropanamide?
The InChIKey is IGTZXSBXJBIYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O/c1-5-12(4)8(9)11-6(2)7(13)10-3/h6H,5H2,1-4H3,(H2,9,11)(H,10,13).
What are the key properties of 2-[[amino-[ethyl(methyl)amino]methylidene]amino]-N-methylpropanamide?
2-[[amino-[ethyl(methyl)amino]methylidene]amino]-N-methylpropanamide has a molecular weight of 186.26 g/mol, XLogP of -0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-[ethyl(methyl)amino]methylidene]amino]-N-methylpropanamide is sourced from PubChem (CID 90245701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).