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

C9H14N2 — CID 162385871

IUPACN-[(1Z,3Z)-1-(azetidin-1-yl)penta-1,3-dienyl]methanimine
SMILESC=N/C(=C\C=C/C)N1CCC1
InChIInChI=1S/C9H14N2/c1-3-4-6-9(10-2)11-7-5-8-11/h3-4,6H,2,5,7-8H2,1H3/b4-3-,9-6+
InChIKeyWEVQIXCXEGPLME-ZNUQQGBJSA-N
MW150.22 g/mol
LogP1.81
Rot. Bonds3

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

N-[(1Z,3Z)-1-(azetidin-1-yl)penta-1,3-dienyl]methanimine (PubChem CID 162385871) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is N-[(1Z,3Z)-1-(azetidin-1-yl)penta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1Z,3Z)-1-(azetidin-1-yl)penta-1,3-dienyl]methanimine
PubChem CID162385871
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC NameN-[(1Z,3Z)-1-(azetidin-1-yl)penta-1,3-dienyl]methanimine
SMILESC=N/C(=C\C=C/C)N1CCC1
InChIInChI=1S/C9H14N2/c1-3-4-6-9(10-2)11-7-5-8-11/h3-4,6H,2,5,7-8H2,1H3/b4-3-,9-6+
InChIKeyWEVQIXCXEGPLME-ZNUQQGBJSA-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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Related Compounds

N-(1-propyl-2H-pyridin-6-yl)methanimine
CID 67094195
N,N-dimethyl-1-(methylideneamino)penta-1,3-dien-1-amine
CID 123871731
N-[(1Z)-1-(azetidin-1-yl)buta-1,3-dienyl]methanimine
CID 144753250
ethane;(1Z,3Z)-N-ethyl-1-(methylideneamino)-N-propylpenta-1,3-dien-1-amine
CID 153372799
(1Z,3Z)-N,N-diethyl-1-(methylideneamino)penta-1,3-dien-1-amine
CID 166892468
(1Z,3Z)-N,N-dimethyl-1-(methylideneamino)penta-1,3-dien-1-amine
CID 167178545
ethane;N-[(1Z)-1-(3-methylazetidin-1-yl)buta-1,3-dienyl]methanimine
CID 176699006
(1Z,3Z)-N-ethyl-1-(methylideneamino)-N-propylpenta-1,3-dien-1-amine
CID 153372800
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,3Z)-1-(azetidin-1-yl)penta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1Z,3Z)-1-(azetidin-1-yl)penta-1,3-dienyl]methanimine (CID 162385871) is N-[(1Z,3Z)-1-(azetidin-1-yl)penta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1Z,3Z)-1-(azetidin-1-yl)penta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1Z,3Z)-1-(azetidin-1-yl)penta-1,3-dienyl]methanimine is C=N/C(=C\C=C/C)N1CCC1.
What is the InChIKey of N-[(1Z,3Z)-1-(azetidin-1-yl)penta-1,3-dienyl]methanimine?
The InChIKey is WEVQIXCXEGPLME-ZNUQQGBJSA-N. The full InChI is InChI=1S/C9H14N2/c1-3-4-6-9(10-2)11-7-5-8-11/h3-4,6H,2,5,7-8H2,1H3/b4-3-,9-6+.
What are the key properties of N-[(1Z,3Z)-1-(azetidin-1-yl)penta-1,3-dienyl]methanimine?
N-[(1Z,3Z)-1-(azetidin-1-yl)penta-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,3Z)-1-(azetidin-1-yl)penta-1,3-dienyl]methanimine is sourced from PubChem (CID 162385871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).