ethane;N-[(Z)-pent-2-enylidene]ethanimidamide

C9H18N2 — CID 176556933

IUPACethane;N-[(Z)-pent-2-enylidene]ethanimidamide
SMILESCC.[H]/N=C(C)/N=C/C=C\CC
InChIInChI=1S/C7H12N2.C2H6/c1-3-4-5-6-9-7(2)8;1-2/h4-6,8H,3H2,1-2H3;1-2H3/b5-4-,8-7+,9-6+;
InChIKeyJQYFYTFCBHHJKZ-ILNQUWEJSA-N
MW154.26 g/mol
LogP3.05
Rot. Bonds2

About ethane;N-[(Z)-pent-2-enylidene]ethanimidamide

ethane;N-[(Z)-pent-2-enylidene]ethanimidamide (PubChem CID 176556933) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is ethane;N-[(Z)-pent-2-enylidene]ethanimidamide.

Molecular Properties

Compound Nameethane;N-[(Z)-pent-2-enylidene]ethanimidamide
PubChem CID176556933
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Nameethane;N-[(Z)-pent-2-enylidene]ethanimidamide
SMILESCC.[H]/N=C(C)/N=C/C=C\CC
InChIInChI=1S/C7H12N2.C2H6/c1-3-4-5-6-9-7(2)8;1-2/h4-6,8H,3H2,1-2H3;1-2H3/b5-4-,8-7+,9-6+;
InChIKeyJQYFYTFCBHHJKZ-ILNQUWEJSA-N
XLogP3.05
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;N-[(Z)-pent-2-enylidene]ethanimidamide 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

3H-pyridin-2-imine
CID 51030079
N-[(Z)-hex-3-enylidene]methanimidamide
CID 89283748
N-[(Z)-but-2-enylidene]ethanimidamide
CID 89697914
[[(2E)-hepta-2,5-dienylidene]amino]methanamine
CID 91299929
N-[(Z)-4-methylpent-2-enylidene]ethanimidamide
CID 126635596
(E)-5-(ethylideneamino)pent-2-enimidamide
CID 129045227
N-[(2Z)-2-but-3-enylidenehept-3-ynylidene]ethanimidamide
CID 131982542
N-[(Z)-4-methylpent-2-enylidene]methanimidamide
CID 141872616
N-[(Z)-3-methylpent-2-enylidene]methanimidamide
CID 142076324
N-[(Z)-but-2-enylidene]ethanimidamide;ethane
CID 142188991
N-[(Z)-pent-2-enylidene]methanimidamide
CID 142302300
ethane;N-[(Z)-pent-3-en-2-ylidene]methanimidamide
CID 143028348

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(Z)-pent-2-enylidene]ethanimidamide?
The IUPAC name of ethane;N-[(Z)-pent-2-enylidene]ethanimidamide (CID 176556933) is ethane;N-[(Z)-pent-2-enylidene]ethanimidamide.
What is the SMILES notation for ethane;N-[(Z)-pent-2-enylidene]ethanimidamide?
The canonical SMILES for ethane;N-[(Z)-pent-2-enylidene]ethanimidamide is CC.[H]/N=C(C)/N=C/C=C\CC.
What is the InChIKey of ethane;N-[(Z)-pent-2-enylidene]ethanimidamide?
The InChIKey is JQYFYTFCBHHJKZ-ILNQUWEJSA-N. The full InChI is InChI=1S/C7H12N2.C2H6/c1-3-4-5-6-9-7(2)8;1-2/h4-6,8H,3H2,1-2H3;1-2H3/b5-4-,8-7+,9-6+;.
What are the key properties of ethane;N-[(Z)-pent-2-enylidene]ethanimidamide?
ethane;N-[(Z)-pent-2-enylidene]ethanimidamide has a molecular weight of 154.26 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(Z)-pent-2-enylidene]ethanimidamide is sourced from PubChem (CID 176556933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).