ethane;N-methylidene-N'-[(Z)-pent-2-en-3-yl]methanimidamide

C9H18N2 — CID 145116714

IUPACethane;N-methylidene-N'-[(Z)-pent-2-en-3-yl]methanimidamide
SMILESC=N/C=N/C(=C\C)CC.CC
InChIInChI=1S/C7H12N2.C2H6/c1-4-7(5-2)9-6-8-3;1-2/h4,6H,3,5H2,1-2H3;1-2H3/b7-4-,9-6+;
InChIKeyBZUINKYRJLFRPW-XEAPTMNZSA-N
MW154.26 g/mol
LogP3.06
Rot. Bonds3

About ethane;N-methylidene-N'-[(Z)-pent-2-en-3-yl]methanimidamide

ethane;N-methylidene-N'-[(Z)-pent-2-en-3-yl]methanimidamide (PubChem CID 145116714) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is ethane;N-methylidene-N'-[(Z)-pent-2-en-3-yl]methanimidamide.

Molecular Properties

Compound Nameethane;N-methylidene-N'-[(Z)-pent-2-en-3-yl]methanimidamide
PubChem CID145116714
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Nameethane;N-methylidene-N'-[(Z)-pent-2-en-3-yl]methanimidamide
SMILESC=N/C=N/C(=C\C)CC.CC
InChIInChI=1S/C7H12N2.C2H6/c1-4-7(5-2)9-6-8-3;1-2/h4,6H,3,5H2,1-2H3;1-2H3/b7-4-,9-6+;
InChIKeyBZUINKYRJLFRPW-XEAPTMNZSA-N
XLogP3.06
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 ethane;N-methylidene-N'-[(Z)-pent-2-en-3-yl]methanimidamide?
The IUPAC name of ethane;N-methylidene-N'-[(Z)-pent-2-en-3-yl]methanimidamide (CID 145116714) is ethane;N-methylidene-N'-[(Z)-pent-2-en-3-yl]methanimidamide.
What is the SMILES notation for ethane;N-methylidene-N'-[(Z)-pent-2-en-3-yl]methanimidamide?
The canonical SMILES for ethane;N-methylidene-N'-[(Z)-pent-2-en-3-yl]methanimidamide is C=N/C=N/C(=C\C)CC.CC.
What is the InChIKey of ethane;N-methylidene-N'-[(Z)-pent-2-en-3-yl]methanimidamide?
The InChIKey is BZUINKYRJLFRPW-XEAPTMNZSA-N. The full InChI is InChI=1S/C7H12N2.C2H6/c1-4-7(5-2)9-6-8-3;1-2/h4,6H,3,5H2,1-2H3;1-2H3/b7-4-,9-6+;.
What are the key properties of ethane;N-methylidene-N'-[(Z)-pent-2-en-3-yl]methanimidamide?
ethane;N-methylidene-N'-[(Z)-pent-2-en-3-yl]methanimidamide has a molecular weight of 154.26 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methylidene-N'-[(Z)-pent-2-en-3-yl]methanimidamide is sourced from PubChem (CID 145116714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).