(2Z)-N-methyl-2-(1-methylpiperidin-2-yl)penta-2,4-dien-1-imine

C12H20N2 — CID 143420751

IUPAC(2Z)-N-methyl-2-(1-methylpiperidin-2-yl)penta-2,4-dien-1-imine
SMILESC=C/C=C(\C=N\C)C1CCCCN1C
InChIInChI=1S/C12H20N2/c1-4-7-11(10-13-2)12-8-5-6-9-14(12)3/h4,7,10,12H,1,5-6,8-9H2,2-3H3/b11-7+,13-10+
InChIKeyAKJZNXFGQJBHCL-JPTKLRQTSA-N
MW192.31 g/mol
LogP2.28
Rot. Bonds3

About (2Z)-N-methyl-2-(1-methylpiperidin-2-yl)penta-2,4-dien-1-imine

(2Z)-N-methyl-2-(1-methylpiperidin-2-yl)penta-2,4-dien-1-imine (PubChem CID 143420751) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is (2Z)-N-methyl-2-(1-methylpiperidin-2-yl)penta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z)-N-methyl-2-(1-methylpiperidin-2-yl)penta-2,4-dien-1-imine
PubChem CID143420751
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name(2Z)-N-methyl-2-(1-methylpiperidin-2-yl)penta-2,4-dien-1-imine
SMILESC=C/C=C(\C=N\C)C1CCCCN1C
InChIInChI=1S/C12H20N2/c1-4-7-11(10-13-2)12-8-5-6-9-14(12)3/h4,7,10,12H,1,5-6,8-9H2,2-3H3/b11-7+,13-10+
InChIKeyAKJZNXFGQJBHCL-JPTKLRQTSA-N
XLogP2.28
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.28
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 (2Z)-N-methyl-2-(1-methylpiperidin-2-yl)penta-2,4-dien-1-imine?
The IUPAC name of (2Z)-N-methyl-2-(1-methylpiperidin-2-yl)penta-2,4-dien-1-imine (CID 143420751) is (2Z)-N-methyl-2-(1-methylpiperidin-2-yl)penta-2,4-dien-1-imine.
What is the SMILES notation for (2Z)-N-methyl-2-(1-methylpiperidin-2-yl)penta-2,4-dien-1-imine?
The canonical SMILES for (2Z)-N-methyl-2-(1-methylpiperidin-2-yl)penta-2,4-dien-1-imine is C=C/C=C(\C=N\C)C1CCCCN1C.
What is the InChIKey of (2Z)-N-methyl-2-(1-methylpiperidin-2-yl)penta-2,4-dien-1-imine?
The InChIKey is AKJZNXFGQJBHCL-JPTKLRQTSA-N. The full InChI is InChI=1S/C12H20N2/c1-4-7-11(10-13-2)12-8-5-6-9-14(12)3/h4,7,10,12H,1,5-6,8-9H2,2-3H3/b11-7+,13-10+.
What are the key properties of (2Z)-N-methyl-2-(1-methylpiperidin-2-yl)penta-2,4-dien-1-imine?
(2Z)-N-methyl-2-(1-methylpiperidin-2-yl)penta-2,4-dien-1-imine has a molecular weight of 192.31 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-methyl-2-(1-methylpiperidin-2-yl)penta-2,4-dien-1-imine is sourced from PubChem (CID 143420751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).