ethane;N'-prop-1-en-2-ylethanimidamide

C7H16N2 — CID 142348517

IUPACethane;N'-prop-1-en-2-ylethanimidamide
SMILESC=C(C)/N=C(\C)N.CC
InChIInChI=1S/C5H10N2.C2H6/c1-4(2)7-5(3)6;1-2/h1H2,2-3H3,(H2,6,7);1-2H3
InChIKeyALCZBOCUXQWCQY-UHFFFAOYSA-N
MW128.22 g/mol
LogP1.92
Rot. Bonds1

About ethane;N'-prop-1-en-2-ylethanimidamide

ethane;N'-prop-1-en-2-ylethanimidamide (PubChem CID 142348517) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is ethane;N'-prop-1-en-2-ylethanimidamide.

Molecular Properties

Compound Nameethane;N'-prop-1-en-2-ylethanimidamide
PubChem CID142348517
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Nameethane;N'-prop-1-en-2-ylethanimidamide
SMILESC=C(C)/N=C(\C)N.CC
InChIInChI=1S/C5H10N2.C2H6/c1-4(2)7-5(3)6;1-2/h1H2,2-3H3,(H2,6,7);1-2H3
InChIKeyALCZBOCUXQWCQY-UHFFFAOYSA-N
XLogP1.92
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 51.92
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'}

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Related Compounds

N'-but-1-en-2-ylpropanimidamide
CID 89165814
N'-but-1-en-2-ylethanimidamide
CID 89331542
N'-[(Z)-but-2-en-2-yl]ethanimidamide
CID 89771603
1-Propan-2-ylidene-2-prop-1-en-2-ylguanidine
CID 90064742
N'-prop-1-en-2-ylethanimidamide
CID 91563328
N'-(N'-prop-1-en-2-ylcarbamimidoyl)ethanimidamide
CID 91589459
N'-[(E)-2-(butan-2-ylideneamino)prop-1-enyl]ethanimidamide
CID 123348821
N'-but-2-en-2-ylethanimidamide
CID 123628782
N'-[(E)-2-aminoprop-1-enyl]ethanimidamide
CID 126539593
2-amino-N'-prop-1-en-2-ylethanimidamide
CID 126539608
N'-(3-methylbut-1-en-2-yl)ethanimidamide
CID 129155281
(Z)-3-amino-N'-prop-1-en-2-ylbut-2-enimidamide
CID 129196438

Frequently Asked Questions

What is the IUPAC name of ethane;N'-prop-1-en-2-ylethanimidamide?
The IUPAC name of ethane;N'-prop-1-en-2-ylethanimidamide (CID 142348517) is ethane;N'-prop-1-en-2-ylethanimidamide.
What is the SMILES notation for ethane;N'-prop-1-en-2-ylethanimidamide?
The canonical SMILES for ethane;N'-prop-1-en-2-ylethanimidamide is C=C(C)/N=C(\C)N.CC.
What is the InChIKey of ethane;N'-prop-1-en-2-ylethanimidamide?
The InChIKey is ALCZBOCUXQWCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2.C2H6/c1-4(2)7-5(3)6;1-2/h1H2,2-3H3,(H2,6,7);1-2H3.
What are the key properties of ethane;N'-prop-1-en-2-ylethanimidamide?
ethane;N'-prop-1-en-2-ylethanimidamide has a molecular weight of 128.22 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-prop-1-en-2-ylethanimidamide is sourced from PubChem (CID 142348517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).