(Z)-N-(methylideneamino)propan-1-imine

C4H8N2 — CID 123803928

IUPAC(Z)-N-(methylideneamino)propan-1-imine
SMILESC=N/N=C\CC
InChIInChI=1S/C4H8N2/c1-3-4-6-5-2/h4H,2-3H2,1H3/b6-4-
InChIKeyCIPIAPNWTLWNSY-XQRVVYSFSA-N
MW84.12 g/mol
LogP1.08
Rot. Bonds2

About (Z)-N-(methylideneamino)propan-1-imine

(Z)-N-(methylideneamino)propan-1-imine (PubChem CID 123803928) has the molecular formula C4H8N2 and a molecular weight of 84.12 g/mol. Its IUPAC name is (Z)-N-(methylideneamino)propan-1-imine.

Molecular Properties

Compound Name(Z)-N-(methylideneamino)propan-1-imine
PubChem CID123803928
Molecular FormulaC4H8N2
Molecular Weight84.12 g/mol
Exact Mass84.07
IUPAC Name(Z)-N-(methylideneamino)propan-1-imine
SMILESC=N/N=C\CC
InChIInChI=1S/C4H8N2/c1-3-4-6-5-2/h4H,2-3H2,1H3/b6-4-
InChIKeyCIPIAPNWTLWNSY-XQRVVYSFSA-N
XLogP1.08
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.12
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-(methylideneamino)propan-1-imine?
The IUPAC name of (Z)-N-(methylideneamino)propan-1-imine (CID 123803928) is (Z)-N-(methylideneamino)propan-1-imine.
What is the SMILES notation for (Z)-N-(methylideneamino)propan-1-imine?
The canonical SMILES for (Z)-N-(methylideneamino)propan-1-imine is C=N/N=C\CC.
What is the InChIKey of (Z)-N-(methylideneamino)propan-1-imine?
The InChIKey is CIPIAPNWTLWNSY-XQRVVYSFSA-N. The full InChI is InChI=1S/C4H8N2/c1-3-4-6-5-2/h4H,2-3H2,1H3/b6-4-.
What are the key properties of (Z)-N-(methylideneamino)propan-1-imine?
(Z)-N-(methylideneamino)propan-1-imine has a molecular weight of 84.12 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(methylideneamino)propan-1-imine is sourced from PubChem (CID 123803928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).