(Z)-3-methyl-N-[1-(3-methylazetidin-1-yl)ethenyl]pent-3-en-1-imine

C12H20N2 — CID 174000956

IUPAC(Z)-3-methyl-N-[1-(3-methylazetidin-1-yl)ethenyl]pent-3-en-1-imine
SMILESC=C(N=CC/C(C)=C\C)N1CC(C)C1
InChIInChI=1S/C12H20N2/c1-5-10(2)6-7-13-12(4)14-8-11(3)9-14/h5,7,11H,4,6,8-9H2,1-3H3/b10-5-,13-7?
InChIKeyJYQHJPIQHCATGB-UVWKCCDSSA-N
MW192.31 g/mol
LogP2.84
Rot. Bonds4

About (Z)-3-methyl-N-[1-(3-methylazetidin-1-yl)ethenyl]pent-3-en-1-imine

(Z)-3-methyl-N-[1-(3-methylazetidin-1-yl)ethenyl]pent-3-en-1-imine (PubChem CID 174000956) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is (Z)-3-methyl-N-[1-(3-methylazetidin-1-yl)ethenyl]pent-3-en-1-imine.

Molecular Properties

Compound Name(Z)-3-methyl-N-[1-(3-methylazetidin-1-yl)ethenyl]pent-3-en-1-imine
PubChem CID174000956
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name(Z)-3-methyl-N-[1-(3-methylazetidin-1-yl)ethenyl]pent-3-en-1-imine
SMILESC=C(N=CC/C(C)=C\C)N1CC(C)C1
InChIInChI=1S/C12H20N2/c1-5-10(2)6-7-13-12(4)14-8-11(3)9-14/h5,7,11H,4,6,8-9H2,1-3H3/b10-5-,13-7?
InChIKeyJYQHJPIQHCATGB-UVWKCCDSSA-N
XLogP2.84
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-methyl-N-[1-(3-methylazetidin-1-yl)ethenyl]pent-3-en-1-imine?
The IUPAC name of (Z)-3-methyl-N-[1-(3-methylazetidin-1-yl)ethenyl]pent-3-en-1-imine (CID 174000956) is (Z)-3-methyl-N-[1-(3-methylazetidin-1-yl)ethenyl]pent-3-en-1-imine.
What is the SMILES notation for (Z)-3-methyl-N-[1-(3-methylazetidin-1-yl)ethenyl]pent-3-en-1-imine?
The canonical SMILES for (Z)-3-methyl-N-[1-(3-methylazetidin-1-yl)ethenyl]pent-3-en-1-imine is C=C(N=CC/C(C)=C\C)N1CC(C)C1.
What is the InChIKey of (Z)-3-methyl-N-[1-(3-methylazetidin-1-yl)ethenyl]pent-3-en-1-imine?
The InChIKey is JYQHJPIQHCATGB-UVWKCCDSSA-N. The full InChI is InChI=1S/C12H20N2/c1-5-10(2)6-7-13-12(4)14-8-11(3)9-14/h5,7,11H,4,6,8-9H2,1-3H3/b10-5-,13-7?.
What are the key properties of (Z)-3-methyl-N-[1-(3-methylazetidin-1-yl)ethenyl]pent-3-en-1-imine?
(Z)-3-methyl-N-[1-(3-methylazetidin-1-yl)ethenyl]pent-3-en-1-imine has a molecular weight of 192.31 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methyl-N-[1-(3-methylazetidin-1-yl)ethenyl]pent-3-en-1-imine is sourced from PubChem (CID 174000956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).