(Z)-N'-methyl-N-(1,2,3,6-tetrahydropyridin-2-yl)hex-4-enimidamide

C12H21N3 — CID 89493049

IUPAC(Z)-N'-methyl-N-(1,2,3,6-tetrahydropyridin-2-yl)hex-4-enimidamide
SMILESC/C=C\CC/C(=N\C)NC1CC=CCN1
InChIInChI=1S/C12H21N3/c1-3-4-5-8-11(13-2)15-12-9-6-7-10-14-12/h3-4,6-7,12,14H,5,8-10H2,1-2H3,(H,13,15)/b4-3-
InChIKeyZNNPUXWBWAZQPQ-ARJAWSKDSA-N
MW207.32 g/mol
LogP1.84
Rot. Bonds4

About (Z)-N'-methyl-N-(1,2,3,6-tetrahydropyridin-2-yl)hex-4-enimidamide

(Z)-N'-methyl-N-(1,2,3,6-tetrahydropyridin-2-yl)hex-4-enimidamide (PubChem CID 89493049) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is (Z)-N'-methyl-N-(1,2,3,6-tetrahydropyridin-2-yl)hex-4-enimidamide.

Molecular Properties

Compound Name(Z)-N'-methyl-N-(1,2,3,6-tetrahydropyridin-2-yl)hex-4-enimidamide
PubChem CID89493049
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name(Z)-N'-methyl-N-(1,2,3,6-tetrahydropyridin-2-yl)hex-4-enimidamide
SMILESC/C=C\CC/C(=N\C)NC1CC=CCN1
InChIInChI=1S/C12H21N3/c1-3-4-5-8-11(13-2)15-12-9-6-7-10-14-12/h3-4,6-7,12,14H,5,8-10H2,1-2H3,(H,13,15)/b4-3-
InChIKeyZNNPUXWBWAZQPQ-ARJAWSKDSA-N
XLogP1.84
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N'-methyl-N-(1,2,3,6-tetrahydropyridin-2-yl)hex-4-enimidamide?
The IUPAC name of (Z)-N'-methyl-N-(1,2,3,6-tetrahydropyridin-2-yl)hex-4-enimidamide (CID 89493049) is (Z)-N'-methyl-N-(1,2,3,6-tetrahydropyridin-2-yl)hex-4-enimidamide.
What is the SMILES notation for (Z)-N'-methyl-N-(1,2,3,6-tetrahydropyridin-2-yl)hex-4-enimidamide?
The canonical SMILES for (Z)-N'-methyl-N-(1,2,3,6-tetrahydropyridin-2-yl)hex-4-enimidamide is C/C=C\CC/C(=N\C)NC1CC=CCN1.
What is the InChIKey of (Z)-N'-methyl-N-(1,2,3,6-tetrahydropyridin-2-yl)hex-4-enimidamide?
The InChIKey is ZNNPUXWBWAZQPQ-ARJAWSKDSA-N. The full InChI is InChI=1S/C12H21N3/c1-3-4-5-8-11(13-2)15-12-9-6-7-10-14-12/h3-4,6-7,12,14H,5,8-10H2,1-2H3,(H,13,15)/b4-3-.
What are the key properties of (Z)-N'-methyl-N-(1,2,3,6-tetrahydropyridin-2-yl)hex-4-enimidamide?
(Z)-N'-methyl-N-(1,2,3,6-tetrahydropyridin-2-yl)hex-4-enimidamide has a molecular weight of 207.32 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-methyl-N-(1,2,3,6-tetrahydropyridin-2-yl)hex-4-enimidamide is sourced from PubChem (CID 89493049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).