N-[(1Z,3E,5E)-6-piperidin-1-yl-4-propan-2-ylhexa-1,3,5-trienyl]methanimine

C15H24N2 — CID 170342404

IUPACN-[(1Z,3E,5E)-6-piperidin-1-yl-4-propan-2-ylhexa-1,3,5-trienyl]methanimine
SMILESC=N/C=C\C=C(\C=C\N1CCCCC1)C(C)C
InChIInChI=1S/C15H24N2/c1-14(2)15(8-7-10-16-3)9-13-17-11-5-4-6-12-17/h7-10,13-14H,3-6,11-12H2,1-2H3/b10-7-,13-9+,15-8-
InChIKeyCNVGYMDOTOPNKD-FKDGJLQXSA-N
MW232.37 g/mol
LogP3.78
Rot. Bonds5

About N-[(1Z,3E,5E)-6-piperidin-1-yl-4-propan-2-ylhexa-1,3,5-trienyl]methanimine

N-[(1Z,3E,5E)-6-piperidin-1-yl-4-propan-2-ylhexa-1,3,5-trienyl]methanimine (PubChem CID 170342404) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-[(1Z,3E,5E)-6-piperidin-1-yl-4-propan-2-ylhexa-1,3,5-trienyl]methanimine.

Molecular Properties

Compound NameN-[(1Z,3E,5E)-6-piperidin-1-yl-4-propan-2-ylhexa-1,3,5-trienyl]methanimine
PubChem CID170342404
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-[(1Z,3E,5E)-6-piperidin-1-yl-4-propan-2-ylhexa-1,3,5-trienyl]methanimine
SMILESC=N/C=C\C=C(\C=C\N1CCCCC1)C(C)C
InChIInChI=1S/C15H24N2/c1-14(2)15(8-7-10-16-3)9-13-17-11-5-4-6-12-17/h7-10,13-14H,3-6,11-12H2,1-2H3/b10-7-,13-9+,15-8-
InChIKeyCNVGYMDOTOPNKD-FKDGJLQXSA-N
XLogP3.78
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.78
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 N-[(1Z,3E,5E)-6-piperidin-1-yl-4-propan-2-ylhexa-1,3,5-trienyl]methanimine?
The IUPAC name of N-[(1Z,3E,5E)-6-piperidin-1-yl-4-propan-2-ylhexa-1,3,5-trienyl]methanimine (CID 170342404) is N-[(1Z,3E,5E)-6-piperidin-1-yl-4-propan-2-ylhexa-1,3,5-trienyl]methanimine.
What is the SMILES notation for N-[(1Z,3E,5E)-6-piperidin-1-yl-4-propan-2-ylhexa-1,3,5-trienyl]methanimine?
The canonical SMILES for N-[(1Z,3E,5E)-6-piperidin-1-yl-4-propan-2-ylhexa-1,3,5-trienyl]methanimine is C=N/C=C\C=C(\C=C\N1CCCCC1)C(C)C.
What is the InChIKey of N-[(1Z,3E,5E)-6-piperidin-1-yl-4-propan-2-ylhexa-1,3,5-trienyl]methanimine?
The InChIKey is CNVGYMDOTOPNKD-FKDGJLQXSA-N. The full InChI is InChI=1S/C15H24N2/c1-14(2)15(8-7-10-16-3)9-13-17-11-5-4-6-12-17/h7-10,13-14H,3-6,11-12H2,1-2H3/b10-7-,13-9+,15-8-.
What are the key properties of N-[(1Z,3E,5E)-6-piperidin-1-yl-4-propan-2-ylhexa-1,3,5-trienyl]methanimine?
N-[(1Z,3E,5E)-6-piperidin-1-yl-4-propan-2-ylhexa-1,3,5-trienyl]methanimine has a molecular weight of 232.37 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3E,5E)-6-piperidin-1-yl-4-propan-2-ylhexa-1,3,5-trienyl]methanimine is sourced from PubChem (CID 170342404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).