N-[(1Z,3E)-4-(4-propan-2-ylpiperidin-1-yl)penta-1,3-dienyl]methanimine

C14H24N2 — CID 130222044

IUPACN-[(1Z,3E)-4-(4-propan-2-ylpiperidin-1-yl)penta-1,3-dienyl]methanimine
SMILESC=N/C=C\C=C(/C)N1CCC(C(C)C)CC1
InChIInChI=1S/C14H24N2/c1-12(2)14-7-10-16(11-8-14)13(3)6-5-9-15-4/h5-6,9,12,14H,4,7-8,10-11H2,1-3H3/b9-5-,13-6+
InChIKeyRPJKEPTUHUGABZ-PPYHSCCKSA-N
MW220.36 g/mol
LogP3.47
Rot. Bonds4

About N-[(1Z,3E)-4-(4-propan-2-ylpiperidin-1-yl)penta-1,3-dienyl]methanimine

N-[(1Z,3E)-4-(4-propan-2-ylpiperidin-1-yl)penta-1,3-dienyl]methanimine (PubChem CID 130222044) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N-[(1Z,3E)-4-(4-propan-2-ylpiperidin-1-yl)penta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1Z,3E)-4-(4-propan-2-ylpiperidin-1-yl)penta-1,3-dienyl]methanimine
PubChem CID130222044
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN-[(1Z,3E)-4-(4-propan-2-ylpiperidin-1-yl)penta-1,3-dienyl]methanimine
SMILESC=N/C=C\C=C(/C)N1CCC(C(C)C)CC1
InChIInChI=1S/C14H24N2/c1-12(2)14-7-10-16(11-8-14)13(3)6-5-9-15-4/h5-6,9,12,14H,4,7-8,10-11H2,1-3H3/b9-5-,13-6+
InChIKeyRPJKEPTUHUGABZ-PPYHSCCKSA-N
XLogP3.47
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.47
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'}

Analyze N-[(1Z,3E)-4-(4-propan-2-ylpiperidin-1-yl)penta-1,3-dienyl]methanimine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1Z,3E)-4-(4-propan-2-ylpiperidin-1-yl)penta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1Z,3E)-4-(4-propan-2-ylpiperidin-1-yl)penta-1,3-dienyl]methanimine (CID 130222044) is N-[(1Z,3E)-4-(4-propan-2-ylpiperidin-1-yl)penta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1Z,3E)-4-(4-propan-2-ylpiperidin-1-yl)penta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1Z,3E)-4-(4-propan-2-ylpiperidin-1-yl)penta-1,3-dienyl]methanimine is C=N/C=C\C=C(/C)N1CCC(C(C)C)CC1.
What is the InChIKey of N-[(1Z,3E)-4-(4-propan-2-ylpiperidin-1-yl)penta-1,3-dienyl]methanimine?
The InChIKey is RPJKEPTUHUGABZ-PPYHSCCKSA-N. The full InChI is InChI=1S/C14H24N2/c1-12(2)14-7-10-16(11-8-14)13(3)6-5-9-15-4/h5-6,9,12,14H,4,7-8,10-11H2,1-3H3/b9-5-,13-6+.
What are the key properties of N-[(1Z,3E)-4-(4-propan-2-ylpiperidin-1-yl)penta-1,3-dienyl]methanimine?
N-[(1Z,3E)-4-(4-propan-2-ylpiperidin-1-yl)penta-1,3-dienyl]methanimine has a molecular weight of 220.36 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3E)-4-(4-propan-2-ylpiperidin-1-yl)penta-1,3-dienyl]methanimine is sourced from PubChem (CID 130222044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).