(2Z)-N-methyl-1-(4-methylcyclohexa-2,4-dien-1-yl)-4-(piperidin-1-ylmethyl)penta-2,4-dien-1-imine

C19H28N2 — CID 166855694

IUPAC(2Z)-N-methyl-1-(4-methylcyclohexa-2,4-dien-1-yl)-4-(piperidin-1-ylmethyl)penta-2,4-dien-1-imine
SMILESC=C(/C=C\C(=N\C)C1C=CC(C)=CC1)CN1CCCCC1
InChIInChI=1S/C19H28N2/c1-16-7-10-18(11-8-16)19(20-3)12-9-17(2)15-21-13-5-4-6-14-21/h7-10,12,18H,2,4-6,11,13-15H2,1,3H3/b12-9-,20-19-
InChIKeyWHRWSKRKJODRDD-QRCHURJTSA-N
MW284.45 g/mol
LogP4.18
Rot. Bonds5

About (2Z)-N-methyl-1-(4-methylcyclohexa-2,4-dien-1-yl)-4-(piperidin-1-ylmethyl)penta-2,4-dien-1-imine

(2Z)-N-methyl-1-(4-methylcyclohexa-2,4-dien-1-yl)-4-(piperidin-1-ylmethyl)penta-2,4-dien-1-imine (PubChem CID 166855694) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is (2Z)-N-methyl-1-(4-methylcyclohexa-2,4-dien-1-yl)-4-(piperidin-1-ylmethyl)penta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z)-N-methyl-1-(4-methylcyclohexa-2,4-dien-1-yl)-4-(piperidin-1-ylmethyl)penta-2,4-dien-1-imine
PubChem CID166855694
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC Name(2Z)-N-methyl-1-(4-methylcyclohexa-2,4-dien-1-yl)-4-(piperidin-1-ylmethyl)penta-2,4-dien-1-imine
SMILESC=C(/C=C\C(=N\C)C1C=CC(C)=CC1)CN1CCCCC1
InChIInChI=1S/C19H28N2/c1-16-7-10-18(11-8-16)19(20-3)12-9-17(2)15-21-13-5-4-6-14-21/h7-10,12,18H,2,4-6,11,13-15H2,1,3H3/b12-9-,20-19-
InChIKeyWHRWSKRKJODRDD-QRCHURJTSA-N
XLogP4.18
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 54.18
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

2,3-Diethyl-2-(3-ethylpiperidin-1-yl)indole
CID 163192617
9-Methyloctahydroindolo[2,3-a]quinolizine
CID 129734677
N,N-diethyl-3-methyl-2-propan-2-ylidene-4aH-quinolin-4-amine
CID 134873276
[(3Z)-4-[[3-methyl-1-(1-methylpiperidin-4-yl)but-2-enylidene]amino]penta-1,3-dien-3-yl] thiohypofluorite
CID 145500736
1-Butyl-1,2,3,4,6,7-hexahydroindolo[2,3-a]quinolizine
CID 20328276
2-Methyl-2-piperidin-1-ylindole
CID 54111611
2-(1-ethylpiperidin-4-yl)-2H-indole
CID 57002424
carbanide;4-(5-methyl-2H-pyrrol-3-yl)piperidin-1-ide;tungsten(2+)
CID 58578255
6-[(4-butylpiperidin-1-yl)methyl]-2H-indole
CID 60064673
2,8-Dimethyl-1,3,4,4a-tetrahydropyrido[4,3-b]indole
CID 67309399
1,7-Diazatricyclo[6.2.2.23,6]tetradeca-3(14),4,6-triene
CID 68084730
2-Methyl-1,3,4,4a-tetrahydropyrido[4,3-b]indole
CID 68924582

Frequently Asked Questions

What is the IUPAC name of (2Z)-N-methyl-1-(4-methylcyclohexa-2,4-dien-1-yl)-4-(piperidin-1-ylmethyl)penta-2,4-dien-1-imine?
The IUPAC name of (2Z)-N-methyl-1-(4-methylcyclohexa-2,4-dien-1-yl)-4-(piperidin-1-ylmethyl)penta-2,4-dien-1-imine (CID 166855694) is (2Z)-N-methyl-1-(4-methylcyclohexa-2,4-dien-1-yl)-4-(piperidin-1-ylmethyl)penta-2,4-dien-1-imine.
What is the SMILES notation for (2Z)-N-methyl-1-(4-methylcyclohexa-2,4-dien-1-yl)-4-(piperidin-1-ylmethyl)penta-2,4-dien-1-imine?
The canonical SMILES for (2Z)-N-methyl-1-(4-methylcyclohexa-2,4-dien-1-yl)-4-(piperidin-1-ylmethyl)penta-2,4-dien-1-imine is C=C(/C=C\C(=N\C)C1C=CC(C)=CC1)CN1CCCCC1.
What is the InChIKey of (2Z)-N-methyl-1-(4-methylcyclohexa-2,4-dien-1-yl)-4-(piperidin-1-ylmethyl)penta-2,4-dien-1-imine?
The InChIKey is WHRWSKRKJODRDD-QRCHURJTSA-N. The full InChI is InChI=1S/C19H28N2/c1-16-7-10-18(11-8-16)19(20-3)12-9-17(2)15-21-13-5-4-6-14-21/h7-10,12,18H,2,4-6,11,13-15H2,1,3H3/b12-9-,20-19-.
What are the key properties of (2Z)-N-methyl-1-(4-methylcyclohexa-2,4-dien-1-yl)-4-(piperidin-1-ylmethyl)penta-2,4-dien-1-imine?
(2Z)-N-methyl-1-(4-methylcyclohexa-2,4-dien-1-yl)-4-(piperidin-1-ylmethyl)penta-2,4-dien-1-imine has a molecular weight of 284.45 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-methyl-1-(4-methylcyclohexa-2,4-dien-1-yl)-4-(piperidin-1-ylmethyl)penta-2,4-dien-1-imine is sourced from PubChem (CID 166855694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).