N-[1-(methylideneamino)prop-1-enyl]ethanimine

C6H10N2 — CID 91297018

IUPACN-[1-(methylideneamino)prop-1-enyl]ethanimine
SMILESC=NC(=CC)N=CC
InChIInChI=1S/C6H10N2/c1-4-6(7-3)8-5-2/h4-5H,3H2,1-2H3
InChIKeyFXUPYGOQIHLSOJ-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.64
Rot. Bonds2

About N-[1-(methylideneamino)prop-1-enyl]ethanimine

N-[1-(methylideneamino)prop-1-enyl]ethanimine (PubChem CID 91297018) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is N-[1-(methylideneamino)prop-1-enyl]ethanimine.

Molecular Properties

Compound NameN-[1-(methylideneamino)prop-1-enyl]ethanimine
PubChem CID91297018
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC NameN-[1-(methylideneamino)prop-1-enyl]ethanimine
SMILESC=NC(=CC)N=CC
InChIInChI=1S/C6H10N2/c1-4-6(7-3)8-5-2/h4-5H,3H2,1-2H3
InChIKeyFXUPYGOQIHLSOJ-UHFFFAOYSA-N
XLogP1.64
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-fluoroprop-1-enyl)ethanimine
CID 123583069
N-[(E)-1-fluoroprop-1-enyl]ethanimine
CID 174073276
(Z)-N-[(E)-1-fluoroprop-1-enyl]ethanimine
CID 142827320
2-Ethylideneimidazole
CID 56993510
2-Propylideneimidazole
CID 57095373
2-Butylideneimidazole
CID 68195305
2-Propylideneimidazole
CID 69283318
4-Ethyl-2-ethylideneimidazole
CID 69514107
N-ethylidene-N'-[(Z)-prop-1-enyl]methanimidamide
CID 88925224
N-methyl-N'-[(Z)-prop-1-enyl]ethane-1,2-diimine
CID 89847248
N-[1-(methylideneamino)ethenyl]ethanimine
CID 90690774
Ethane;2-methylideneimidazole
CID 90779285

Frequently Asked Questions

What is the IUPAC name of N-[1-(methylideneamino)prop-1-enyl]ethanimine?
The IUPAC name of N-[1-(methylideneamino)prop-1-enyl]ethanimine (CID 91297018) is N-[1-(methylideneamino)prop-1-enyl]ethanimine.
What is the SMILES notation for N-[1-(methylideneamino)prop-1-enyl]ethanimine?
The canonical SMILES for N-[1-(methylideneamino)prop-1-enyl]ethanimine is C=NC(=CC)N=CC.
What is the InChIKey of N-[1-(methylideneamino)prop-1-enyl]ethanimine?
The InChIKey is FXUPYGOQIHLSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c1-4-6(7-3)8-5-2/h4-5H,3H2,1-2H3.
What are the key properties of N-[1-(methylideneamino)prop-1-enyl]ethanimine?
N-[1-(methylideneamino)prop-1-enyl]ethanimine has a molecular weight of 110.16 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(methylideneamino)prop-1-enyl]ethanimine is sourced from PubChem (CID 91297018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).