(Z)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pent-3-en-2-imine

C11H18N2 — CID 146360789

IUPAC(Z)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pent-3-en-2-imine
SMILESC/C=C\C(C)=N\CC1=CCNCC1
InChIInChI=1S/C11H18N2/c1-3-4-10(2)13-9-11-5-7-12-8-6-11/h3-5,12H,6-9H2,1-2H3/b4-3-,13-10+
InChIKeyCENBDQUVZCJUMI-ANKWKMGHSA-N
MW178.28 g/mol
LogP1.94
Rot. Bonds3

About (Z)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pent-3-en-2-imine

(Z)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pent-3-en-2-imine (PubChem CID 146360789) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (Z)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pent-3-en-2-imine.

Molecular Properties

Compound Name(Z)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pent-3-en-2-imine
PubChem CID146360789
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(Z)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pent-3-en-2-imine
SMILESC/C=C\C(C)=N\CC1=CCNCC1
InChIInChI=1S/C11H18N2/c1-3-4-10(2)13-9-11-5-7-12-8-6-11/h3-5,12H,6-9H2,1-2H3/b4-3-,13-10+
InChIKeyCENBDQUVZCJUMI-ANKWKMGHSA-N
XLogP1.94
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.94
H-Bond Donors ≤ 51
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)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pent-3-en-2-imine?
The IUPAC name of (Z)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pent-3-en-2-imine (CID 146360789) is (Z)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pent-3-en-2-imine.
What is the SMILES notation for (Z)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pent-3-en-2-imine?
The canonical SMILES for (Z)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pent-3-en-2-imine is C/C=C\C(C)=N\CC1=CCNCC1.
What is the InChIKey of (Z)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pent-3-en-2-imine?
The InChIKey is CENBDQUVZCJUMI-ANKWKMGHSA-N. The full InChI is InChI=1S/C11H18N2/c1-3-4-10(2)13-9-11-5-7-12-8-6-11/h3-5,12H,6-9H2,1-2H3/b4-3-,13-10+.
What are the key properties of (Z)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pent-3-en-2-imine?
(Z)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pent-3-en-2-imine has a molecular weight of 178.28 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pent-3-en-2-imine is sourced from PubChem (CID 146360789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).