molecular hydrogen;N-[(1Z,3Z)-2-piperidin-4-ylpenta-1,3-dienyl]methanimine

C11H20N2 — CID 156796186

IUPACmolecular hydrogen;N-[(1Z,3Z)-2-piperidin-4-ylpenta-1,3-dienyl]methanimine
SMILESC=N/C=C(\C=C/C)C1CCNCC1.[H][H]
InChIInChI=1S/C11H18N2.H2/c1-3-4-11(9-12-2)10-5-7-13-8-6-10;/h3-4,9-10,13H,2,5-8H2,1H3;1H/b4-3-,11-9+;
InChIKeyURFNUHMLZXJWPH-ZNTYGWNXSA-N
MW180.30 g/mol
LogP2.39
Rot. Bonds3

About molecular hydrogen;N-[(1Z,3Z)-2-piperidin-4-ylpenta-1,3-dienyl]methanimine

molecular hydrogen;N-[(1Z,3Z)-2-piperidin-4-ylpenta-1,3-dienyl]methanimine (PubChem CID 156796186) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is molecular hydrogen;N-[(1Z,3Z)-2-piperidin-4-ylpenta-1,3-dienyl]methanimine.

Molecular Properties

Compound Namemolecular hydrogen;N-[(1Z,3Z)-2-piperidin-4-ylpenta-1,3-dienyl]methanimine
PubChem CID156796186
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC Namemolecular hydrogen;N-[(1Z,3Z)-2-piperidin-4-ylpenta-1,3-dienyl]methanimine
SMILESC=N/C=C(\C=C/C)C1CCNCC1.[H][H]
InChIInChI=1S/C11H18N2.H2/c1-3-4-11(9-12-2)10-5-7-13-8-6-10;/h3-4,9-10,13H,2,5-8H2,1H3;1H/b4-3-,11-9+;
InChIKeyURFNUHMLZXJWPH-ZNTYGWNXSA-N
XLogP2.39
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 52.39
H-Bond Donors ≤ 51
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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Related Compounds

Octahydro 4,4'-bipyridyl
CID 4867470
4-[(1E,3Z,5Z)-1-fluorohepta-1,3,5-trien-4-yl]piperidine
CID 134365700
N-[(1E,3E)-4-methyl-5-piperidin-4-yl-2-(trifluoromethyl)penta-1,3-dienyl]methanimine
CID 143984943
4-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]piperidine
CID 169892261
4-Cyclohexa-1,5-dien-1-ylpiperidine
CID 17989464
4-methanidylpiperidine;5-methyl-2H-pyridin-2-ide;yttrium
CID 59718538
[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]piperidin-4-yl]methanamine
CID 88582872
4-[(2Z,4Z)-hexa-2,4-dienyl]piperidine
CID 89113434
4-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]piperidine
CID 89125148
4-[(3E)-6-methylhepta-1,3,5-trien-3-yl]piperidine
CID 89292690
2-[4-[(1Z,3Z)-penta-1,3-dienyl]-1,2,3,6-tetrahydropyridin-3-yl]ethanamine
CID 89361478
4-Penta-1,3-dien-3-ylpiperidine
CID 91103322

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;N-[(1Z,3Z)-2-piperidin-4-ylpenta-1,3-dienyl]methanimine?
The IUPAC name of molecular hydrogen;N-[(1Z,3Z)-2-piperidin-4-ylpenta-1,3-dienyl]methanimine (CID 156796186) is molecular hydrogen;N-[(1Z,3Z)-2-piperidin-4-ylpenta-1,3-dienyl]methanimine.
What is the SMILES notation for molecular hydrogen;N-[(1Z,3Z)-2-piperidin-4-ylpenta-1,3-dienyl]methanimine?
The canonical SMILES for molecular hydrogen;N-[(1Z,3Z)-2-piperidin-4-ylpenta-1,3-dienyl]methanimine is C=N/C=C(\C=C/C)C1CCNCC1.[H][H].
What is the InChIKey of molecular hydrogen;N-[(1Z,3Z)-2-piperidin-4-ylpenta-1,3-dienyl]methanimine?
The InChIKey is URFNUHMLZXJWPH-ZNTYGWNXSA-N. The full InChI is InChI=1S/C11H18N2.H2/c1-3-4-11(9-12-2)10-5-7-13-8-6-10;/h3-4,9-10,13H,2,5-8H2,1H3;1H/b4-3-,11-9+;.
What are the key properties of molecular hydrogen;N-[(1Z,3Z)-2-piperidin-4-ylpenta-1,3-dienyl]methanimine?
molecular hydrogen;N-[(1Z,3Z)-2-piperidin-4-ylpenta-1,3-dienyl]methanimine has a molecular weight of 180.30 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;N-[(1Z,3Z)-2-piperidin-4-ylpenta-1,3-dienyl]methanimine is sourced from PubChem (CID 156796186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).