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

C7H15N — CID 91357503

IUPACethane;N-[(Z)-prop-1-enyl]ethanimine
SMILESC/C=C\N=C\C.CC
InChIInChI=1S/C5H9N.C2H6/c1-3-5-6-4-2;1-2/h3-5H,1-2H3;1-2H3/b5-3-,6-4+;
InChIKeyAODKMIXKAQZYKA-HQWJOSOMSA-N
MW113.20 g/mol
LogP2.64
Rot. Bonds1

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

ethane;N-[(Z)-prop-1-enyl]ethanimine (PubChem CID 91357503) has the molecular formula C7H15N and a molecular weight of 113.20 g/mol. Its IUPAC name is ethane;N-[(Z)-prop-1-enyl]ethanimine.

Molecular Properties

Compound Nameethane;N-[(Z)-prop-1-enyl]ethanimine
PubChem CID91357503
Molecular FormulaC7H15N
Molecular Weight113.20 g/mol
Exact Mass113.12
IUPAC Nameethane;N-[(Z)-prop-1-enyl]ethanimine
SMILESC/C=C\N=C\C.CC
InChIInChI=1S/C5H9N.C2H6/c1-3-5-6-4-2;1-2/h3-5H,1-2H3;1-2H3/b5-3-,6-4+;
InChIKeyAODKMIXKAQZYKA-HQWJOSOMSA-N
XLogP2.64
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.20
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methanaminium, N-[(2E)-3-(dimethylamino)-2-propenylidene]-N-methyl-
CID 638326
1-(Prop-1-en-1-yl)-1,2-dihydropyrazine
CID 71361020
Ethylidene-allylamine
CID 12231233
[1,4,8,11]Tetraazacyclotetradecin
CID 17888082
Methylene propyleneamine
CID 18740882
N-prop-1-enylmethanimine
CID 20770478
(1E)-N-(Prop-1-en-1-yl)propan-1-imine
CID 54113889
N-methyl-N'-methylideneprop-2-ene-1,3-diimine
CID 91606293
[1,5,9,13]Tetraazacyclohexadecine
CID 129657122
N-[(1Z,3E)-4-fluorobuta-1,3-dienyl]ethanimine
CID 122647093
N-[(1E)-2-fluorobuta-1,3-dienyl]ethanimine
CID 123868124
N-[(Z)-prop-1-enyl]ethanimidoyl fluoride
CID 129055348

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(Z)-prop-1-enyl]ethanimine?
The IUPAC name of ethane;N-[(Z)-prop-1-enyl]ethanimine (CID 91357503) is ethane;N-[(Z)-prop-1-enyl]ethanimine.
What is the SMILES notation for ethane;N-[(Z)-prop-1-enyl]ethanimine?
The canonical SMILES for ethane;N-[(Z)-prop-1-enyl]ethanimine is C/C=C\N=C\C.CC.
What is the InChIKey of ethane;N-[(Z)-prop-1-enyl]ethanimine?
The InChIKey is AODKMIXKAQZYKA-HQWJOSOMSA-N. The full InChI is InChI=1S/C5H9N.C2H6/c1-3-5-6-4-2;1-2/h3-5H,1-2H3;1-2H3/b5-3-,6-4+;.
What are the key properties of ethane;N-[(Z)-prop-1-enyl]ethanimine?
ethane;N-[(Z)-prop-1-enyl]ethanimine has a molecular weight of 113.20 g/mol, XLogP of 2.64, 1 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]ethanimine is sourced from PubChem (CID 91357503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).