3-[[amino(ethylamino)methylidene]amino]-N,N-diethylpropanamide

C10H22N4O — CID 62364812

IUPAC3-[[amino(ethylamino)methylidene]amino]-N,N-diethylpropanamide
SMILESCCN/C(N)=N/CCC(=O)N(CC)CC
InChIInChI=1S/C10H22N4O/c1-4-12-10(11)13-8-7-9(15)14(5-2)6-3/h4-8H2,1-3H3,(H3,11,12,13)
InChIKeyCQOWKHOMJGVCLW-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.17
Rot. Bonds6

About 3-[[amino(ethylamino)methylidene]amino]-N,N-diethylpropanamide

3-[[amino(ethylamino)methylidene]amino]-N,N-diethylpropanamide (PubChem CID 62364812) has the molecular formula C10H22N4O and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-[[amino(ethylamino)methylidene]amino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-[[amino(ethylamino)methylidene]amino]-N,N-diethylpropanamide
PubChem CID62364812
Molecular FormulaC10H22N4O
Molecular Weight214.31 g/mol
Exact Mass214.18
IUPAC Name3-[[amino(ethylamino)methylidene]amino]-N,N-diethylpropanamide
SMILESCCN/C(N)=N/CCC(=O)N(CC)CC
InChIInChI=1S/C10H22N4O/c1-4-12-10(11)13-8-7-9(15)14(5-2)6-3/h4-8H2,1-3H3,(H3,11,12,13)
InChIKeyCQOWKHOMJGVCLW-UHFFFAOYSA-N
XLogP0.17
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.17
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 3-[[amino(ethylamino)methylidene]amino]-N,N-diethylpropanamide?
The IUPAC name of 3-[[amino(ethylamino)methylidene]amino]-N,N-diethylpropanamide (CID 62364812) is 3-[[amino(ethylamino)methylidene]amino]-N,N-diethylpropanamide.
What is the SMILES notation for 3-[[amino(ethylamino)methylidene]amino]-N,N-diethylpropanamide?
The canonical SMILES for 3-[[amino(ethylamino)methylidene]amino]-N,N-diethylpropanamide is CCN/C(N)=N/CCC(=O)N(CC)CC.
What is the InChIKey of 3-[[amino(ethylamino)methylidene]amino]-N,N-diethylpropanamide?
The InChIKey is CQOWKHOMJGVCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O/c1-4-12-10(11)13-8-7-9(15)14(5-2)6-3/h4-8H2,1-3H3,(H3,11,12,13).
What are the key properties of 3-[[amino(ethylamino)methylidene]amino]-N,N-diethylpropanamide?
3-[[amino(ethylamino)methylidene]amino]-N,N-diethylpropanamide has a molecular weight of 214.31 g/mol, XLogP of 0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[amino(ethylamino)methylidene]amino]-N,N-diethylpropanamide is sourced from PubChem (CID 62364812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).