ethane;N'-prop-2-enylethanimidamide

C7H16N2 — CID 143229175

IUPACethane;N'-prop-2-enylethanimidamide
SMILESC=CC/N=C(\C)N.CC
InChIInChI=1S/C5H10N2.C2H6/c1-3-4-7-5(2)6;1-2/h3H,1,4H2,2H3,(H2,6,7);1-2H3
InChIKeyURMWHDRBNSJNLT-UHFFFAOYSA-N
MW128.22 g/mol
LogP1.58
Rot. Bonds2

About ethane;N'-prop-2-enylethanimidamide

ethane;N'-prop-2-enylethanimidamide (PubChem CID 143229175) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is ethane;N'-prop-2-enylethanimidamide.

Molecular Properties

Compound Nameethane;N'-prop-2-enylethanimidamide
PubChem CID143229175
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Nameethane;N'-prop-2-enylethanimidamide
SMILESC=CC/N=C(\C)N.CC
InChIInChI=1S/C5H10N2.C2H6/c1-3-4-7-5(2)6;1-2/h3H,1,4H2,2H3,(H2,6,7);1-2H3
InChIKeyURMWHDRBNSJNLT-UHFFFAOYSA-N
XLogP1.58
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 51.58
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;N'-prop-2-enylethanimidamide?
The IUPAC name of ethane;N'-prop-2-enylethanimidamide (CID 143229175) is ethane;N'-prop-2-enylethanimidamide.
What is the SMILES notation for ethane;N'-prop-2-enylethanimidamide?
The canonical SMILES for ethane;N'-prop-2-enylethanimidamide is C=CC/N=C(\C)N.CC.
What is the InChIKey of ethane;N'-prop-2-enylethanimidamide?
The InChIKey is URMWHDRBNSJNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2.C2H6/c1-3-4-7-5(2)6;1-2/h3H,1,4H2,2H3,(H2,6,7);1-2H3.
What are the key properties of ethane;N'-prop-2-enylethanimidamide?
ethane;N'-prop-2-enylethanimidamide has a molecular weight of 128.22 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-prop-2-enylethanimidamide is sourced from PubChem (CID 143229175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).