N-[(1Z)-1-(azetidin-1-yl)buta-1,3-dienyl]methanimine

C8H12N2 — CID 144753250

IUPACN-[(1Z)-1-(azetidin-1-yl)buta-1,3-dienyl]methanimine
SMILESC=C/C=C(\N=C)N1CCC1
InChIInChI=1S/C8H12N2/c1-3-5-8(9-2)10-6-4-7-10/h3,5H,1-2,4,6-7H2/b8-5+
InChIKeyDOUPKYXWHGNJEH-VMPITWQZSA-N
MW136.20 g/mol
LogP1.42
Rot. Bonds3

About N-[(1Z)-1-(azetidin-1-yl)buta-1,3-dienyl]methanimine

N-[(1Z)-1-(azetidin-1-yl)buta-1,3-dienyl]methanimine (PubChem CID 144753250) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is N-[(1Z)-1-(azetidin-1-yl)buta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1Z)-1-(azetidin-1-yl)buta-1,3-dienyl]methanimine
PubChem CID144753250
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC NameN-[(1Z)-1-(azetidin-1-yl)buta-1,3-dienyl]methanimine
SMILESC=C/C=C(\N=C)N1CCC1
InChIInChI=1S/C8H12N2/c1-3-5-8(9-2)10-6-4-7-10/h3,5H,1-2,4,6-7H2/b8-5+
InChIKeyDOUPKYXWHGNJEH-VMPITWQZSA-N
XLogP1.42
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1Z)-1-(azetidin-1-yl)-3-methylbuta-1,3-dienyl]methanimine
CID 143922386
N-[(1Z,3Z)-1-(azetidin-1-yl)penta-1,3-dienyl]methanimine
CID 162385871
ethane;N-[(1Z)-1-(3-methylazetidin-1-yl)buta-1,3-dienyl]methanimine
CID 176699006
N-[(1Z)-1-(3-methylazetidin-1-yl)buta-1,3-dienyl]methanimine
CID 176699007

Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-1-(azetidin-1-yl)buta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1Z)-1-(azetidin-1-yl)buta-1,3-dienyl]methanimine (CID 144753250) is N-[(1Z)-1-(azetidin-1-yl)buta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1Z)-1-(azetidin-1-yl)buta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1Z)-1-(azetidin-1-yl)buta-1,3-dienyl]methanimine is C=C/C=C(\N=C)N1CCC1.
What is the InChIKey of N-[(1Z)-1-(azetidin-1-yl)buta-1,3-dienyl]methanimine?
The InChIKey is DOUPKYXWHGNJEH-VMPITWQZSA-N. The full InChI is InChI=1S/C8H12N2/c1-3-5-8(9-2)10-6-4-7-10/h3,5H,1-2,4,6-7H2/b8-5+.
What are the key properties of N-[(1Z)-1-(azetidin-1-yl)buta-1,3-dienyl]methanimine?
N-[(1Z)-1-(azetidin-1-yl)buta-1,3-dienyl]methanimine has a molecular weight of 136.20 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-1-(azetidin-1-yl)buta-1,3-dienyl]methanimine is sourced from PubChem (CID 144753250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).