ethane;N'-ethyl-N-prop-2-enylidenemethanimidamide

C10H22N2 — CID 143433350

IUPACethane;N'-ethyl-N-prop-2-enylidenemethanimidamide
SMILESC=C/C=N/C=N/CC.CC.CC
InChIInChI=1S/C6H10N2.2C2H6/c1-3-5-8-6-7-4-2;2*1-2/h3,5-6H,1,4H2,2H3;2*1-2H3/b7-6+,8-5+;;
InChIKeyCZPDUFUABQJJED-JQDYITMPSA-N
MW170.30 g/mol
LogP3.34
Rot. Bonds3

About ethane;N'-ethyl-N-prop-2-enylidenemethanimidamide

ethane;N'-ethyl-N-prop-2-enylidenemethanimidamide (PubChem CID 143433350) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is ethane;N'-ethyl-N-prop-2-enylidenemethanimidamide.

Molecular Properties

Compound Nameethane;N'-ethyl-N-prop-2-enylidenemethanimidamide
PubChem CID143433350
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Nameethane;N'-ethyl-N-prop-2-enylidenemethanimidamide
SMILESC=C/C=N/C=N/CC.CC.CC
InChIInChI=1S/C6H10N2.2C2H6/c1-3-5-8-6-7-4-2;2*1-2/h3,5-6H,1,4H2,2H3;2*1-2H3/b7-6+,8-5+;;
InChIKeyCZPDUFUABQJJED-JQDYITMPSA-N
XLogP3.34
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.34
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'-ethyl-N-prop-2-enylidenemethanimidamide?
The IUPAC name of ethane;N'-ethyl-N-prop-2-enylidenemethanimidamide (CID 143433350) is ethane;N'-ethyl-N-prop-2-enylidenemethanimidamide.
What is the SMILES notation for ethane;N'-ethyl-N-prop-2-enylidenemethanimidamide?
The canonical SMILES for ethane;N'-ethyl-N-prop-2-enylidenemethanimidamide is C=C/C=N/C=N/CC.CC.CC.
What is the InChIKey of ethane;N'-ethyl-N-prop-2-enylidenemethanimidamide?
The InChIKey is CZPDUFUABQJJED-JQDYITMPSA-N. The full InChI is InChI=1S/C6H10N2.2C2H6/c1-3-5-8-6-7-4-2;2*1-2/h3,5-6H,1,4H2,2H3;2*1-2H3/b7-6+,8-5+;;.
What are the key properties of ethane;N'-ethyl-N-prop-2-enylidenemethanimidamide?
ethane;N'-ethyl-N-prop-2-enylidenemethanimidamide has a molecular weight of 170.30 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-ethyl-N-prop-2-enylidenemethanimidamide is sourced from PubChem (CID 143433350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).