ethane;N-ethyl-N-methylethanamine;(2Z)-N'-methylpenta-2,4-dienimidamide;molecular hydrogen

C13H31N3 — CID 145388371

IUPACethane;N-ethyl-N-methylethanamine;(2Z)-N'-methylpenta-2,4-dienimidamide;molecular hydrogen
SMILESC=C/C=C\C(N)=N\C.CC.CCN(C)CC.[H][H]
InChIInChI=1S/C6H10N2.C5H13N.C2H6.H2/c1-3-4-5-6(7)8-2;1-4-6(3)5-2;1-2;/h3-5H,1H2,2H3,(H2,7,8);4-5H2,1-3H3;1-2H3;1H/b5-4-;;;
InChIKeyFQBOJOFBBNCYFG-OAWHIZORSA-N
MW229.41 g/mol
LogP2.95
Rot. Bonds4

About ethane;N-ethyl-N-methylethanamine;(2Z)-N'-methylpenta-2,4-dienimidamide;molecular hydrogen

ethane;N-ethyl-N-methylethanamine;(2Z)-N'-methylpenta-2,4-dienimidamide;molecular hydrogen (PubChem CID 145388371) has the molecular formula C13H31N3 and a molecular weight of 229.41 g/mol. Its IUPAC name is ethane;N-ethyl-N-methylethanamine;(2Z)-N'-methylpenta-2,4-dienimidamide;molecular hydrogen.

Molecular Properties

Compound Nameethane;N-ethyl-N-methylethanamine;(2Z)-N'-methylpenta-2,4-dienimidamide;molecular hydrogen
PubChem CID145388371
Molecular FormulaC13H31N3
Molecular Weight229.41 g/mol
Exact Mass229.25
IUPAC Nameethane;N-ethyl-N-methylethanamine;(2Z)-N'-methylpenta-2,4-dienimidamide;molecular hydrogen
SMILESC=C/C=C\C(N)=N\C.CC.CCN(C)CC.[H][H]
InChIInChI=1S/C6H10N2.C5H13N.C2H6.H2/c1-3-4-5-6(7)8-2;1-4-6(3)5-2;1-2;/h3-5H,1H2,2H3,(H2,7,8);4-5H2,1-3H3;1-2H3;1H/b5-4-;;;
InChIKeyFQBOJOFBBNCYFG-OAWHIZORSA-N
XLogP2.95
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;N-ethyl-N-methylethanamine;(2Z)-N'-methylpenta-2,4-dienimidamide;molecular hydrogen with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-N-methylethanamine;(2Z)-N'-methylpenta-2,4-dienimidamide;molecular hydrogen?
The IUPAC name of ethane;N-ethyl-N-methylethanamine;(2Z)-N'-methylpenta-2,4-dienimidamide;molecular hydrogen (CID 145388371) is ethane;N-ethyl-N-methylethanamine;(2Z)-N'-methylpenta-2,4-dienimidamide;molecular hydrogen.
What is the SMILES notation for ethane;N-ethyl-N-methylethanamine;(2Z)-N'-methylpenta-2,4-dienimidamide;molecular hydrogen?
The canonical SMILES for ethane;N-ethyl-N-methylethanamine;(2Z)-N'-methylpenta-2,4-dienimidamide;molecular hydrogen is C=C/C=C\C(N)=N\C.CC.CCN(C)CC.[H][H].
What is the InChIKey of ethane;N-ethyl-N-methylethanamine;(2Z)-N'-methylpenta-2,4-dienimidamide;molecular hydrogen?
The InChIKey is FQBOJOFBBNCYFG-OAWHIZORSA-N. The full InChI is InChI=1S/C6H10N2.C5H13N.C2H6.H2/c1-3-4-5-6(7)8-2;1-4-6(3)5-2;1-2;/h3-5H,1H2,2H3,(H2,7,8);4-5H2,1-3H3;1-2H3;1H/b5-4-;;;.
What are the key properties of ethane;N-ethyl-N-methylethanamine;(2Z)-N'-methylpenta-2,4-dienimidamide;molecular hydrogen?
ethane;N-ethyl-N-methylethanamine;(2Z)-N'-methylpenta-2,4-dienimidamide;molecular hydrogen has a molecular weight of 229.41 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-N-methylethanamine;(2Z)-N'-methylpenta-2,4-dienimidamide;molecular hydrogen is sourced from PubChem (CID 145388371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).