ethane;N'-[(Z)-prop-1-enyl]-N-propylidenemethanimidamide

C9H18N2 — CID 170974627

IUPACethane;N'-[(Z)-prop-1-enyl]-N-propylidenemethanimidamide
SMILESC/C=C\N=C\N=C\CC.CC
InChIInChI=1S/C7H12N2.C2H6/c1-3-5-8-7-9-6-4-2;1-2/h3,5-7H,4H2,1-2H3;1-2H3/b5-3-,8-7+,9-6+;
InChIKeyMIVDTUVZDQUFLE-OQNFUIATSA-N
MW154.26 g/mol
LogP3.06
Rot. Bonds3

About ethane;N'-[(Z)-prop-1-enyl]-N-propylidenemethanimidamide

ethane;N'-[(Z)-prop-1-enyl]-N-propylidenemethanimidamide (PubChem CID 170974627) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is ethane;N'-[(Z)-prop-1-enyl]-N-propylidenemethanimidamide.

Molecular Properties

Compound Nameethane;N'-[(Z)-prop-1-enyl]-N-propylidenemethanimidamide
PubChem CID170974627
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Nameethane;N'-[(Z)-prop-1-enyl]-N-propylidenemethanimidamide
SMILESC/C=C\N=C\N=C\CC.CC
InChIInChI=1S/C7H12N2.C2H6/c1-3-5-8-7-9-6-4-2;1-2/h3,5-7H,4H2,1-2H3;1-2H3/b5-3-,8-7+,9-6+;
InChIKeyMIVDTUVZDQUFLE-OQNFUIATSA-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'-[(Z)-prop-1-enyl]-N-propylidenemethanimidamide?
The IUPAC name of ethane;N'-[(Z)-prop-1-enyl]-N-propylidenemethanimidamide (CID 170974627) is ethane;N'-[(Z)-prop-1-enyl]-N-propylidenemethanimidamide.
What is the SMILES notation for ethane;N'-[(Z)-prop-1-enyl]-N-propylidenemethanimidamide?
The canonical SMILES for ethane;N'-[(Z)-prop-1-enyl]-N-propylidenemethanimidamide is C/C=C\N=C\N=C\CC.CC.
What is the InChIKey of ethane;N'-[(Z)-prop-1-enyl]-N-propylidenemethanimidamide?
The InChIKey is MIVDTUVZDQUFLE-OQNFUIATSA-N. The full InChI is InChI=1S/C7H12N2.C2H6/c1-3-5-8-7-9-6-4-2;1-2/h3,5-7H,4H2,1-2H3;1-2H3/b5-3-,8-7+,9-6+;.
What are the key properties of ethane;N'-[(Z)-prop-1-enyl]-N-propylidenemethanimidamide?
ethane;N'-[(Z)-prop-1-enyl]-N-propylidenemethanimidamide 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'-[(Z)-prop-1-enyl]-N-propylidenemethanimidamide is sourced from PubChem (CID 170974627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).