(2Z,5E)-N,2-dimethyl-6-(1-methylpiperidin-4-yl)hexa-2,5-dien-1-imine

C14H24N2 — CID 142325543

IUPAC(2Z,5E)-N,2-dimethyl-6-(1-methylpiperidin-4-yl)hexa-2,5-dien-1-imine
SMILESC/N=C/C(C)=C\C/C=C/C1CCN(C)CC1
InChIInChI=1S/C14H24N2/c1-13(12-15-2)6-4-5-7-14-8-10-16(3)11-9-14/h5-7,12,14H,4,8-11H2,1-3H3/b7-5+,13-6-,15-12+
InChIKeyKJPDCOATQBLOAQ-WRWWFOCMSA-N
MW220.36 g/mol
LogP2.92
Rot. Bonds4

About (2Z,5E)-N,2-dimethyl-6-(1-methylpiperidin-4-yl)hexa-2,5-dien-1-imine

(2Z,5E)-N,2-dimethyl-6-(1-methylpiperidin-4-yl)hexa-2,5-dien-1-imine (PubChem CID 142325543) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is (2Z,5E)-N,2-dimethyl-6-(1-methylpiperidin-4-yl)hexa-2,5-dien-1-imine.

Molecular Properties

Compound Name(2Z,5E)-N,2-dimethyl-6-(1-methylpiperidin-4-yl)hexa-2,5-dien-1-imine
PubChem CID142325543
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name(2Z,5E)-N,2-dimethyl-6-(1-methylpiperidin-4-yl)hexa-2,5-dien-1-imine
SMILESC/N=C/C(C)=C\C/C=C/C1CCN(C)CC1
InChIInChI=1S/C14H24N2/c1-13(12-15-2)6-4-5-7-14-8-10-16(3)11-9-14/h5-7,12,14H,4,8-11H2,1-3H3/b7-5+,13-6-,15-12+
InChIKeyKJPDCOATQBLOAQ-WRWWFOCMSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(1-Methylpyrrolidin-3-yl)-2,3-dihydropyridine
CID 90789433
1-Methyl-4-(4-methyl-2-propylpyrrol-2-yl)piperidine
CID 90937325
N-ethenyl-2-(1-methylpiperidin-4-yl)prop-2-en-1-imine
CID 123879121
N,3-dimethyl-4-(1-methylpiperidin-4-yl)but-2-en-1-imine
CID 123885206
5-(1-Methylpiperidin-4-yl)-2-propan-2-yl-2,3-dihydropyridine
CID 134364993
3,5-dimethyl-3-(1-methylpiperidin-4-yl)-2H-pyridine
CID 134433362
4-(1-Methylpiperidin-4-yl)-1-azacyclohepta-1,3,5,6-tetraene
CID 142032557
methane;(2Z)-N-methyl-2-(1-methylpiperidin-4-yl)penta-2,4-dien-1-imine
CID 142886822
1-cyclohepta-1,3,6-trien-1-yl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]methanimine
CID 143029270
4-(1-methylpiperidin-4-ylidene)-N-[(Z)-prop-1-enyl]butan-1-imine
CID 143046625
4-ethylidene-1-methylpiperidine;N-methylbut-3-en-1-imine
CID 143059291
(E)-N,3-dimethylhex-4-en-1-imine;methane;1-methylpiperidine
CID 143171835

Frequently Asked Questions

What is the IUPAC name of (2Z,5E)-N,2-dimethyl-6-(1-methylpiperidin-4-yl)hexa-2,5-dien-1-imine?
The IUPAC name of (2Z,5E)-N,2-dimethyl-6-(1-methylpiperidin-4-yl)hexa-2,5-dien-1-imine (CID 142325543) is (2Z,5E)-N,2-dimethyl-6-(1-methylpiperidin-4-yl)hexa-2,5-dien-1-imine.
What is the SMILES notation for (2Z,5E)-N,2-dimethyl-6-(1-methylpiperidin-4-yl)hexa-2,5-dien-1-imine?
The canonical SMILES for (2Z,5E)-N,2-dimethyl-6-(1-methylpiperidin-4-yl)hexa-2,5-dien-1-imine is C/N=C/C(C)=C\C/C=C/C1CCN(C)CC1.
What is the InChIKey of (2Z,5E)-N,2-dimethyl-6-(1-methylpiperidin-4-yl)hexa-2,5-dien-1-imine?
The InChIKey is KJPDCOATQBLOAQ-WRWWFOCMSA-N. The full InChI is InChI=1S/C14H24N2/c1-13(12-15-2)6-4-5-7-14-8-10-16(3)11-9-14/h5-7,12,14H,4,8-11H2,1-3H3/b7-5+,13-6-,15-12+.
What are the key properties of (2Z,5E)-N,2-dimethyl-6-(1-methylpiperidin-4-yl)hexa-2,5-dien-1-imine?
(2Z,5E)-N,2-dimethyl-6-(1-methylpiperidin-4-yl)hexa-2,5-dien-1-imine has a molecular weight of 220.36 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5E)-N,2-dimethyl-6-(1-methylpiperidin-4-yl)hexa-2,5-dien-1-imine is sourced from PubChem (CID 142325543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).