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

C6H10N2 — CID 91042440

IUPACN-[1-(methylideneamino)ethenyl]propan-1-imine
SMILESC=NC(=C)N=CCC
InChIInChI=1S/C6H10N2/c1-4-5-8-6(2)7-3/h5H,2-4H2,1H3
InChIKeyJSNSSVDDKHVQSW-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.64
Rot. Bonds3

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

N-[1-(methylideneamino)ethenyl]propan-1-imine (PubChem CID 91042440) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is N-[1-(methylideneamino)ethenyl]propan-1-imine.

Molecular Properties

Compound NameN-[1-(methylideneamino)ethenyl]propan-1-imine
PubChem CID91042440
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC NameN-[1-(methylideneamino)ethenyl]propan-1-imine
SMILESC=NC(=C)N=CCC
InChIInChI=1S/C6H10N2/c1-4-5-8-6(2)7-3/h5H,2-4H2,1H3
InChIKeyJSNSSVDDKHVQSW-UHFFFAOYSA-N
XLogP1.64
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of N-[1-(methylideneamino)ethenyl]propan-1-imine?
The IUPAC name of N-[1-(methylideneamino)ethenyl]propan-1-imine (CID 91042440) is N-[1-(methylideneamino)ethenyl]propan-1-imine.
What is the SMILES notation for N-[1-(methylideneamino)ethenyl]propan-1-imine?
The canonical SMILES for N-[1-(methylideneamino)ethenyl]propan-1-imine is C=NC(=C)N=CCC.
What is the InChIKey of N-[1-(methylideneamino)ethenyl]propan-1-imine?
The InChIKey is JSNSSVDDKHVQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c1-4-5-8-6(2)7-3/h5H,2-4H2,1H3.
What are the key properties of N-[1-(methylideneamino)ethenyl]propan-1-imine?
N-[1-(methylideneamino)ethenyl]propan-1-imine has a molecular weight of 110.16 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(methylideneamino)ethenyl]propan-1-imine is sourced from PubChem (CID 91042440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).