N-[3-[2-(3,4-dimethylpiperidin-1-yl)ethyl]penta-1,3-dienyl]methanimine

C15H26N2 — CID 123252528

IUPACN-[3-[2-(3,4-dimethylpiperidin-1-yl)ethyl]penta-1,3-dienyl]methanimine
SMILESC=NC=CC(=CC)CCN1CCC(C)C(C)C1
InChIInChI=1S/C15H26N2/c1-5-15(6-9-16-4)8-11-17-10-7-13(2)14(3)12-17/h5-6,9,13-14H,4,7-8,10-12H2,1-3H3
InChIKeyIKBOKXFBDXTUAT-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.52
Rot. Bonds5

About N-[3-[2-(3,4-dimethylpiperidin-1-yl)ethyl]penta-1,3-dienyl]methanimine

N-[3-[2-(3,4-dimethylpiperidin-1-yl)ethyl]penta-1,3-dienyl]methanimine (PubChem CID 123252528) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N-[3-[2-(3,4-dimethylpiperidin-1-yl)ethyl]penta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[3-[2-(3,4-dimethylpiperidin-1-yl)ethyl]penta-1,3-dienyl]methanimine
PubChem CID123252528
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN-[3-[2-(3,4-dimethylpiperidin-1-yl)ethyl]penta-1,3-dienyl]methanimine
SMILESC=NC=CC(=CC)CCN1CCC(C)C(C)C1
InChIInChI=1S/C15H26N2/c1-5-15(6-9-16-4)8-11-17-10-7-13(2)14(3)12-17/h5-6,9,13-14H,4,7-8,10-12H2,1-3H3
InChIKeyIKBOKXFBDXTUAT-UHFFFAOYSA-N
XLogP3.52
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.52
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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Related Compounds

N-[(Z)-3-[4-[(1E,3E,5E)-1,3-difluorohepta-1,3,5-trienyl]piperidin-1-yl]prop-1-enyl]methanimine
CID 170175799
N-[(1E,3Z)-5-fluoro-3-methyl-2-(4-propan-2-ylpiperidin-1-yl)penta-1,3-dienyl]methanimine
CID 174276298
1-methyl-4-(1-methylpiperidin-4-yl)-2H-pyridine
CID 20384780
1-ethyl-4-(1-ethylpiperidin-4-yl)-2H-pyridine
CID 21321902
4-(1,2-dimethylpiperidin-4-yl)-1,2-dimethyl-2H-pyridine
CID 70559433
(3Z)-N-ethenyl-N-methyl-5-(1-methylpiperidin-4-yl)hexa-1,3,5-trien-2-amine
CID 118612512
1-[(1E)-buta-1,3-dienyl]-4-[(Z,2Z)-2-ethylidenepent-3-enyl]piperidine
CID 122643082
N-[(1Z,3E)-4-(4-propan-2-ylpiperidin-1-yl)penta-1,3-dienyl]methanimine
CID 130222044
1-ethenyl-4-[(3E)-5-methylhexa-3,5-dien-3-yl]piperidine
CID 137439444
1-ethenyl-4-[(2E)-penta-2,4-dien-2-yl]piperidine
CID 139333567
4-(1-Methylpiperidin-4-yl)-1-azacyclohepta-1,3,5,6-tetraene
CID 142032557
N-[(1Z,3Z)-3-piperidin-4-ylpenta-1,3-dienyl]methanimine
CID 142864209

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(3,4-dimethylpiperidin-1-yl)ethyl]penta-1,3-dienyl]methanimine?
The IUPAC name of N-[3-[2-(3,4-dimethylpiperidin-1-yl)ethyl]penta-1,3-dienyl]methanimine (CID 123252528) is N-[3-[2-(3,4-dimethylpiperidin-1-yl)ethyl]penta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[3-[2-(3,4-dimethylpiperidin-1-yl)ethyl]penta-1,3-dienyl]methanimine?
The canonical SMILES for N-[3-[2-(3,4-dimethylpiperidin-1-yl)ethyl]penta-1,3-dienyl]methanimine is C=NC=CC(=CC)CCN1CCC(C)C(C)C1.
What is the InChIKey of N-[3-[2-(3,4-dimethylpiperidin-1-yl)ethyl]penta-1,3-dienyl]methanimine?
The InChIKey is IKBOKXFBDXTUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-5-15(6-9-16-4)8-11-17-10-7-13(2)14(3)12-17/h5-6,9,13-14H,4,7-8,10-12H2,1-3H3.
What are the key properties of N-[3-[2-(3,4-dimethylpiperidin-1-yl)ethyl]penta-1,3-dienyl]methanimine?
N-[3-[2-(3,4-dimethylpiperidin-1-yl)ethyl]penta-1,3-dienyl]methanimine has a molecular weight of 234.39 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(3,4-dimethylpiperidin-1-yl)ethyl]penta-1,3-dienyl]methanimine is sourced from PubChem (CID 123252528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).