ethane;2-methyl-N'-[(Z)-prop-1-enyl]prop-2-enimidamide

C9H18N2 — CID 144646985

IUPACethane;2-methyl-N'-[(Z)-prop-1-enyl]prop-2-enimidamide
SMILESC=C(C)/C(N)=N/C=C\C.CC
InChIInChI=1S/C7H12N2.C2H6/c1-4-5-9-7(8)6(2)3;1-2/h4-5H,2H2,1,3H3,(H2,8,9);1-2H3/b5-4-;
InChIKeyADFSUHXNAYGWAI-MKWAYWHRSA-N
MW154.26 g/mol
LogP2.48
Rot. Bonds2

About ethane;2-methyl-N'-[(Z)-prop-1-enyl]prop-2-enimidamide

ethane;2-methyl-N'-[(Z)-prop-1-enyl]prop-2-enimidamide (PubChem CID 144646985) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is ethane;2-methyl-N'-[(Z)-prop-1-enyl]prop-2-enimidamide.

Molecular Properties

Compound Nameethane;2-methyl-N'-[(Z)-prop-1-enyl]prop-2-enimidamide
PubChem CID144646985
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Nameethane;2-methyl-N'-[(Z)-prop-1-enyl]prop-2-enimidamide
SMILESC=C(C)/C(N)=N/C=C\C.CC
InChIInChI=1S/C7H12N2.C2H6/c1-4-5-9-7(8)6(2)3;1-2/h4-5H,2H2,1,3H3,(H2,8,9);1-2H3/b5-4-;
InChIKeyADFSUHXNAYGWAI-MKWAYWHRSA-N
XLogP2.48
TPSA38.38 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 ≤ 52.48
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;2-methyl-N'-[(Z)-prop-1-enyl]prop-2-enimidamide 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;2-methyl-N'-[(Z)-prop-1-enyl]prop-2-enimidamide?
The IUPAC name of ethane;2-methyl-N'-[(Z)-prop-1-enyl]prop-2-enimidamide (CID 144646985) is ethane;2-methyl-N'-[(Z)-prop-1-enyl]prop-2-enimidamide.
What is the SMILES notation for ethane;2-methyl-N'-[(Z)-prop-1-enyl]prop-2-enimidamide?
The canonical SMILES for ethane;2-methyl-N'-[(Z)-prop-1-enyl]prop-2-enimidamide is C=C(C)/C(N)=N/C=C\C.CC.
What is the InChIKey of ethane;2-methyl-N'-[(Z)-prop-1-enyl]prop-2-enimidamide?
The InChIKey is ADFSUHXNAYGWAI-MKWAYWHRSA-N. The full InChI is InChI=1S/C7H12N2.C2H6/c1-4-5-9-7(8)6(2)3;1-2/h4-5H,2H2,1,3H3,(H2,8,9);1-2H3/b5-4-;.
What are the key properties of ethane;2-methyl-N'-[(Z)-prop-1-enyl]prop-2-enimidamide?
ethane;2-methyl-N'-[(Z)-prop-1-enyl]prop-2-enimidamide has a molecular weight of 154.26 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-N'-[(Z)-prop-1-enyl]prop-2-enimidamide is sourced from PubChem (CID 144646985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).