2-(azetidin-3-yl)-N-(3-methylpent-2-en-2-yl)prop-2-en-1-imine

C12H20N2 — CID 123170118

IUPAC2-(azetidin-3-yl)-N-(3-methylpent-2-en-2-yl)prop-2-en-1-imine
SMILESC=C(/C=N/C(C)=C(C)CC)C1CNC1
InChIInChI=1S/C12H20N2/c1-5-9(2)11(4)14-6-10(3)12-7-13-8-12/h6,12-13H,3,5,7-8H2,1-2,4H3/b11-9?,14-6+
InChIKeyABXZXVMZDYBHJH-CPFDIXEKSA-N
MW192.31 g/mol
LogP2.54
Rot. Bonds4

About 2-(azetidin-3-yl)-N-(3-methylpent-2-en-2-yl)prop-2-en-1-imine

2-(azetidin-3-yl)-N-(3-methylpent-2-en-2-yl)prop-2-en-1-imine (PubChem CID 123170118) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-(3-methylpent-2-en-2-yl)prop-2-en-1-imine.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-(3-methylpent-2-en-2-yl)prop-2-en-1-imine
PubChem CID123170118
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name2-(azetidin-3-yl)-N-(3-methylpent-2-en-2-yl)prop-2-en-1-imine
SMILESC=C(/C=N/C(C)=C(C)CC)C1CNC1
InChIInChI=1S/C12H20N2/c1-5-9(2)11(4)14-6-10(3)12-7-13-8-12/h6,12-13H,3,5,7-8H2,1-2,4H3/b11-9?,14-6+
InChIKeyABXZXVMZDYBHJH-CPFDIXEKSA-N
XLogP2.54
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-(Azetidin-3-yl)-3-methyliminoprop-1-enyl]-methyl-methylideneazanium
CID 90770131
4-(Azetidin-3-yl)-2-ethylidene-3-methylpent-3-en-1-imine
CID 123302715
5-(azetidin-3-yl)-N,2-dimethylpent-2-en-1-imine
CID 123937374
(E)-N,2-dimethyl-3-(methyliminomethyl)pent-3-en-1-amine
CID 129144965
(Z,2Z)-4-(azetidin-3-yl)-2-ethylidene-3-methylpent-3-en-1-imine
CID 144279229
N-[(Z)-1-(azetidin-3-yl)pent-2-en-2-yl]propan-1-imine
CID 167486130
(Z)-4-(azetidin-3-yl)-4-methyliminobut-2-en-2-amine;ethane
CID 167486720
N,2,5-trimethyl-1-methyliminohex-2-en-3-amine
CID 173732708
N-[(3Z,5Z)-6-(azetidin-3-yl)-2-methylhepta-3,5-dien-3-yl]methanimine
CID 164927018
N,4-dimethyl-3-(2-methylprop-2-enylideneamino)pent-3-en-1-amine
CID 172387390

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-(3-methylpent-2-en-2-yl)prop-2-en-1-imine?
The IUPAC name of 2-(azetidin-3-yl)-N-(3-methylpent-2-en-2-yl)prop-2-en-1-imine (CID 123170118) is 2-(azetidin-3-yl)-N-(3-methylpent-2-en-2-yl)prop-2-en-1-imine.
What is the SMILES notation for 2-(azetidin-3-yl)-N-(3-methylpent-2-en-2-yl)prop-2-en-1-imine?
The canonical SMILES for 2-(azetidin-3-yl)-N-(3-methylpent-2-en-2-yl)prop-2-en-1-imine is C=C(/C=N/C(C)=C(C)CC)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-(3-methylpent-2-en-2-yl)prop-2-en-1-imine?
The InChIKey is ABXZXVMZDYBHJH-CPFDIXEKSA-N. The full InChI is InChI=1S/C12H20N2/c1-5-9(2)11(4)14-6-10(3)12-7-13-8-12/h6,12-13H,3,5,7-8H2,1-2,4H3/b11-9?,14-6+.
What are the key properties of 2-(azetidin-3-yl)-N-(3-methylpent-2-en-2-yl)prop-2-en-1-imine?
2-(azetidin-3-yl)-N-(3-methylpent-2-en-2-yl)prop-2-en-1-imine has a molecular weight of 192.31 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-(3-methylpent-2-en-2-yl)prop-2-en-1-imine is sourced from PubChem (CID 123170118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).