ethane;N-[(Z)-2-(methylideneamino)prop-1-enyl]methanimine

C7H14N2 — CID 142053328

IUPACethane;N-[(Z)-2-(methylideneamino)prop-1-enyl]methanimine
SMILESC=N/C=C(/C)N=C.CC
InChIInChI=1S/C5H8N2.C2H6/c1-5(7-3)4-6-2;1-2/h4H,2-3H2,1H3;1-2H3/b5-4-;
InChIKeyACXQAKMKBGBSSO-MKWAYWHRSA-N
MW126.20 g/mol
LogP2.28
Rot. Bonds2

About ethane;N-[(Z)-2-(methylideneamino)prop-1-enyl]methanimine

ethane;N-[(Z)-2-(methylideneamino)prop-1-enyl]methanimine (PubChem CID 142053328) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is ethane;N-[(Z)-2-(methylideneamino)prop-1-enyl]methanimine.

Molecular Properties

Compound Nameethane;N-[(Z)-2-(methylideneamino)prop-1-enyl]methanimine
PubChem CID142053328
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Nameethane;N-[(Z)-2-(methylideneamino)prop-1-enyl]methanimine
SMILESC=N/C=C(/C)N=C.CC
InChIInChI=1S/C5H8N2.C2H6/c1-5(7-3)4-6-2;1-2/h4H,2-3H2,1H3;1-2H3/b5-4-;
InChIKeyACXQAKMKBGBSSO-MKWAYWHRSA-N
XLogP2.28
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;N-[(Z)-2-(methylideneamino)prop-1-enyl]methanimine?
The IUPAC name of ethane;N-[(Z)-2-(methylideneamino)prop-1-enyl]methanimine (CID 142053328) is ethane;N-[(Z)-2-(methylideneamino)prop-1-enyl]methanimine.
What is the SMILES notation for ethane;N-[(Z)-2-(methylideneamino)prop-1-enyl]methanimine?
The canonical SMILES for ethane;N-[(Z)-2-(methylideneamino)prop-1-enyl]methanimine is C=N/C=C(/C)N=C.CC.
What is the InChIKey of ethane;N-[(Z)-2-(methylideneamino)prop-1-enyl]methanimine?
The InChIKey is ACXQAKMKBGBSSO-MKWAYWHRSA-N. The full InChI is InChI=1S/C5H8N2.C2H6/c1-5(7-3)4-6-2;1-2/h4H,2-3H2,1H3;1-2H3/b5-4-;.
What are the key properties of ethane;N-[(Z)-2-(methylideneamino)prop-1-enyl]methanimine?
ethane;N-[(Z)-2-(methylideneamino)prop-1-enyl]methanimine has a molecular weight of 126.20 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(Z)-2-(methylideneamino)prop-1-enyl]methanimine is sourced from PubChem (CID 142053328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).