(E,E)-N-piperidin-1-ylhex-2-en-1-imine

C11H20N2 — CID 121217830

IUPAC(E,E)-N-piperidin-1-ylhex-2-en-1-imine
SMILESCCC/C=C/C=N/N1CCCCC1
InChIInChI=1S/C11H20N2/c1-2-3-4-6-9-12-13-10-7-5-8-11-13/h4,6,9H,2-3,5,7-8,10-11H2,1H3/b6-4+,12-9+
InChIKeyDUPZZWRSANSOFM-ISVYGWFVSA-N
MW180.29 g/mol
LogP2.81
Rot. Bonds4

About (E,E)-N-piperidin-1-ylhex-2-en-1-imine

(E,E)-N-piperidin-1-ylhex-2-en-1-imine (PubChem CID 121217830) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is (E,E)-N-piperidin-1-ylhex-2-en-1-imine.

Molecular Properties

Compound Name(E,E)-N-piperidin-1-ylhex-2-en-1-imine
PubChem CID121217830
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name(E,E)-N-piperidin-1-ylhex-2-en-1-imine
SMILESCCC/C=C/C=N/N1CCCCC1
InChIInChI=1S/C11H20N2/c1-2-3-4-6-9-12-13-10-7-5-8-11-13/h4,6,9H,2-3,5,7-8,10-11H2,1H3/b6-4+,12-9+
InChIKeyDUPZZWRSANSOFM-ISVYGWFVSA-N
XLogP2.81
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E,E)-N-piperidin-1-ylhex-2-en-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,6,7,8-tetrahydro-4aH-pyrido[1,2-b]pyridazine
CID 146410078
(E)-N-[(2E)-2-ethylidenepiperidin-1-yl]ethanimine;methane
CID 166143534
(Z)-N-[(2Z)-2-ethylidenepiperidin-1-yl]ethanimine
CID 169587677
1-[(E)-hex-2-enylidene]piperidin-1-ium
CID 101234498
(E)-N-[(2E)-2-ethylidenepiperidin-1-yl]ethanimine
CID 166143535

Frequently Asked Questions

What is the IUPAC name of (E,E)-N-piperidin-1-ylhex-2-en-1-imine?
The IUPAC name of (E,E)-N-piperidin-1-ylhex-2-en-1-imine (CID 121217830) is (E,E)-N-piperidin-1-ylhex-2-en-1-imine.
What is the SMILES notation for (E,E)-N-piperidin-1-ylhex-2-en-1-imine?
The canonical SMILES for (E,E)-N-piperidin-1-ylhex-2-en-1-imine is CCC/C=C/C=N/N1CCCCC1.
What is the InChIKey of (E,E)-N-piperidin-1-ylhex-2-en-1-imine?
The InChIKey is DUPZZWRSANSOFM-ISVYGWFVSA-N. The full InChI is InChI=1S/C11H20N2/c1-2-3-4-6-9-12-13-10-7-5-8-11-13/h4,6,9H,2-3,5,7-8,10-11H2,1H3/b6-4+,12-9+.
What are the key properties of (E,E)-N-piperidin-1-ylhex-2-en-1-imine?
(E,E)-N-piperidin-1-ylhex-2-en-1-imine has a molecular weight of 180.29 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,E)-N-piperidin-1-ylhex-2-en-1-imine is sourced from PubChem (CID 121217830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).