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

C9H14N2 — CID 143922386

IUPACN-[(1Z)-1-(azetidin-1-yl)-3-methylbuta-1,3-dienyl]methanimine
SMILESC=N/C(=C\C(=C)C)N1CCC1
InChIInChI=1S/C9H14N2/c1-8(2)7-9(10-3)11-5-4-6-11/h7H,1,3-6H2,2H3/b9-7+
InChIKeyCKQQHNADBZZCCR-VQHVLOKHSA-N
MW150.22 g/mol
LogP1.81
Rot. Bonds3

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

N-[(1Z)-1-(azetidin-1-yl)-3-methylbuta-1,3-dienyl]methanimine (PubChem CID 143922386) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is N-[(1Z)-1-(azetidin-1-yl)-3-methylbuta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1Z)-1-(azetidin-1-yl)-3-methylbuta-1,3-dienyl]methanimine
PubChem CID143922386
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC NameN-[(1Z)-1-(azetidin-1-yl)-3-methylbuta-1,3-dienyl]methanimine
SMILESC=N/C(=C\C(=C)C)N1CCC1
InChIInChI=1S/C9H14N2/c1-8(2)7-9(10-3)11-5-4-6-11/h7H,1,3-6H2,2H3/b9-7+
InChIKeyCKQQHNADBZZCCR-VQHVLOKHSA-N
XLogP1.81
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.81
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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Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-1-(azetidin-1-yl)-3-methylbuta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1Z)-1-(azetidin-1-yl)-3-methylbuta-1,3-dienyl]methanimine (CID 143922386) is N-[(1Z)-1-(azetidin-1-yl)-3-methylbuta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1Z)-1-(azetidin-1-yl)-3-methylbuta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1Z)-1-(azetidin-1-yl)-3-methylbuta-1,3-dienyl]methanimine is C=N/C(=C\C(=C)C)N1CCC1.
What is the InChIKey of N-[(1Z)-1-(azetidin-1-yl)-3-methylbuta-1,3-dienyl]methanimine?
The InChIKey is CKQQHNADBZZCCR-VQHVLOKHSA-N. The full InChI is InChI=1S/C9H14N2/c1-8(2)7-9(10-3)11-5-4-6-11/h7H,1,3-6H2,2H3/b9-7+.
What are the key properties of N-[(1Z)-1-(azetidin-1-yl)-3-methylbuta-1,3-dienyl]methanimine?
N-[(1Z)-1-(azetidin-1-yl)-3-methylbuta-1,3-dienyl]methanimine has a molecular weight of 150.22 g/mol, XLogP of 1.81, 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)-3-methylbuta-1,3-dienyl]methanimine is sourced from PubChem (CID 143922386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).