N-[1-(methylideneamino)ethenyl]butan-1-imine

C7H12N2 — CID 90810945

IUPACN-[1-(methylideneamino)ethenyl]butan-1-imine
SMILESC=NC(=C)N=CCCC
InChIInChI=1S/C7H12N2/c1-4-5-6-9-7(2)8-3/h6H,2-5H2,1H3
InChIKeyAIGXACNDDWQBNK-UHFFFAOYSA-N
MW124.19 g/mol
LogP2.03
Rot. Bonds4

About N-[1-(methylideneamino)ethenyl]butan-1-imine

N-[1-(methylideneamino)ethenyl]butan-1-imine (PubChem CID 90810945) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is N-[1-(methylideneamino)ethenyl]butan-1-imine.

Molecular Properties

Compound NameN-[1-(methylideneamino)ethenyl]butan-1-imine
PubChem CID90810945
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC NameN-[1-(methylideneamino)ethenyl]butan-1-imine
SMILESC=NC(=C)N=CCCC
InChIInChI=1S/C7H12N2/c1-4-5-6-9-7(2)8-3/h6H,2-5H2,1H3
InChIKeyAIGXACNDDWQBNK-UHFFFAOYSA-N
XLogP2.03
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 52.03
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-fluoroethenyl)propan-1-imine
CID 123909746
N-ethenylpropan-1-imine
CID 13099159
2-N'-ethylidene-1-N-methyl-2-N-methylideneethene-1,2,2-triimine
CID 53843184
1-(2-Methylpropylideneamino)ethenamine
CID 58545046
N-[1-(methylideneamino)ethenyl]ethanimine
CID 90690774
Ethane;2-methylideneimidazole
CID 90779285
N-[1-(methylideneamino)ethenyl]propan-1-imine
CID 91042440
N-[1-(methylideneamino)prop-1-enyl]ethanimine
CID 91297018
N-[(Z)-2-(ethylideneamino)ethenyl]butan-1-imine
CID 122667549
(Z)-2-(methylideneamino)-2-(propylideneamino)ethenamine
CID 123856235
2-methyl-N-[1-(methylideneamino)ethenyl]propan-1-imine
CID 123916576
N'-ethenyl-N-propylidenemethanimidamide
CID 129142748

Frequently Asked Questions

What is the IUPAC name of N-[1-(methylideneamino)ethenyl]butan-1-imine?
The IUPAC name of N-[1-(methylideneamino)ethenyl]butan-1-imine (CID 90810945) is N-[1-(methylideneamino)ethenyl]butan-1-imine.
What is the SMILES notation for N-[1-(methylideneamino)ethenyl]butan-1-imine?
The canonical SMILES for N-[1-(methylideneamino)ethenyl]butan-1-imine is C=NC(=C)N=CCCC.
What is the InChIKey of N-[1-(methylideneamino)ethenyl]butan-1-imine?
The InChIKey is AIGXACNDDWQBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-4-5-6-9-7(2)8-3/h6H,2-5H2,1H3.
What are the key properties of N-[1-(methylideneamino)ethenyl]butan-1-imine?
N-[1-(methylideneamino)ethenyl]butan-1-imine has a molecular weight of 124.19 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(methylideneamino)ethenyl]butan-1-imine is sourced from PubChem (CID 90810945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).