(6E)-6-ethylidene-5-[(4-methylcyclohexyl)methyl]-3-piperidin-1-yl-N-propylcyclohexa-2,4-dien-1-imine

C24H38N2 — CID 139420125

IUPAC(6E)-6-ethylidene-5-[(4-methylcyclohexyl)methyl]-3-piperidin-1-yl-N-propylcyclohexa-2,4-dien-1-imine
SMILESC/C=C1\C(CC2CCC(C)CC2)=CC(N2CCCCC2)=C\C1=N/CCC
InChIInChI=1S/C24H38N2/c1-4-13-25-24-18-22(26-14-7-6-8-15-26)17-21(23(24)5-2)16-20-11-9-19(3)10-12-20/h5,17-20H,4,6-16H2,1-3H3/b23-5+,25-24+
InChIKeyHNJCGHSUJYSJGM-RMWPCYPCSA-N
MW354.58 g/mol
LogP6.31
Rot. Bonds5

About (6E)-6-ethylidene-5-[(4-methylcyclohexyl)methyl]-3-piperidin-1-yl-N-propylcyclohexa-2,4-dien-1-imine

(6E)-6-ethylidene-5-[(4-methylcyclohexyl)methyl]-3-piperidin-1-yl-N-propylcyclohexa-2,4-dien-1-imine (PubChem CID 139420125) has the molecular formula C24H38N2 and a molecular weight of 354.58 g/mol. Its IUPAC name is (6E)-6-ethylidene-5-[(4-methylcyclohexyl)methyl]-3-piperidin-1-yl-N-propylcyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(6E)-6-ethylidene-5-[(4-methylcyclohexyl)methyl]-3-piperidin-1-yl-N-propylcyclohexa-2,4-dien-1-imine
PubChem CID139420125
Molecular FormulaC24H38N2
Molecular Weight354.58 g/mol
Exact Mass354.30
IUPAC Name(6E)-6-ethylidene-5-[(4-methylcyclohexyl)methyl]-3-piperidin-1-yl-N-propylcyclohexa-2,4-dien-1-imine
SMILESC/C=C1\C(CC2CCC(C)CC2)=CC(N2CCCCC2)=C\C1=N/CCC
InChIInChI=1S/C24H38N2/c1-4-13-25-24-18-22(26-14-7-6-8-15-26)17-21(23(24)5-2)16-20-11-9-19(3)10-12-20/h5,17-20H,4,6-16H2,1-3H3/b23-5+,25-24+
InChIKeyHNJCGHSUJYSJGM-RMWPCYPCSA-N
XLogP6.31
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.58
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Butyl-1,2,3,4,6,7-hexahydroindolo[2,3-a]quinolizine
CID 20328276
N-[(1R)-cyclohexa-2,4-dien-1-yl]-N-[(1S,4R)-4-[(4S)-2-[(1R)-4-methylcyclohexa-2,4-dien-1-yl]-6-(4-methylcyclohexa-1,3-dien-1-yl)-3,4-dihydropyridin-4-yl]cyclohex-2-en-1-yl]cyclohexa-1,3-dien-1-amine
CID 117809588
(E)-5-cyclohexyl-1-(2,5-dimethylcyclohexa-1,5-dien-1-yl)-3-piperidin-1-ylpent-2-ene-1,4-diimine
CID 134379596
5-(Cyclohexylmethyl)-7-piperidin-1-yl-2,3-dihydroquinoxaline
CID 139419955
1-cyclopentyl-N-[[4-[[5-methylidene-3-piperidin-1-yl-6-[(Z)-prop-1-enyl]iminocyclohexa-1,3-dien-1-yl]methyl]cyclohexyl]methyl]ethenamine
CID 139420085
3,13-Diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(21),2,4,6-tetraene
CID 142811541
ethane;ethylcyclohexane;(4E,6Z)-6-[[(4Z,6Z)-6-ethylocta-4,6-dien-2-ylidene]amino]-5-methyl-2-methylidene-3-propan-2-ylidene-N,N-dipropylocta-4,6-dien-1-amine
CID 142919844
ethane;(E)-[(2E)-4-methylimino-2-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-(3-propylhexyl)piperidin-3-ylidene]methanamine;propylcyclohexane
CID 143875885
N-[(Z,1E)-1-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]pent-2-en-2-yl]-N,6-dimethyloctan-3-amine;propane
CID 166548757
N-methyl-4-[4-[4-(4-methylpiperidin-1-yl)butyl]-2,4a,5,8,9,9a-hexahydro-1H-benzo[7]annulen-7-yl]pent-4-en-2-imine
CID 170213848
1-cyclohexa-2,4-dien-1-yl-N-[cyclohex-2-en-1-yl-[1-(4-ethylcyclohexen-1-yl)ethylideneamino]methyl]-N-methylethenamine
CID 173938664
N-[(E)-1-[3-[amino-(4-cyclohexylimino-1-methylpiperidin-3-ylidene)methyl]-2-ethenylcyclohexa-1,5-dien-1-yl]prop-1-en-2-yl]-N-ethylbut-3-en-1-amine
CID 173966045

Frequently Asked Questions

What is the IUPAC name of (6E)-6-ethylidene-5-[(4-methylcyclohexyl)methyl]-3-piperidin-1-yl-N-propylcyclohexa-2,4-dien-1-imine?
The IUPAC name of (6E)-6-ethylidene-5-[(4-methylcyclohexyl)methyl]-3-piperidin-1-yl-N-propylcyclohexa-2,4-dien-1-imine (CID 139420125) is (6E)-6-ethylidene-5-[(4-methylcyclohexyl)methyl]-3-piperidin-1-yl-N-propylcyclohexa-2,4-dien-1-imine.
What is the SMILES notation for (6E)-6-ethylidene-5-[(4-methylcyclohexyl)methyl]-3-piperidin-1-yl-N-propylcyclohexa-2,4-dien-1-imine?
The canonical SMILES for (6E)-6-ethylidene-5-[(4-methylcyclohexyl)methyl]-3-piperidin-1-yl-N-propylcyclohexa-2,4-dien-1-imine is C/C=C1\C(CC2CCC(C)CC2)=CC(N2CCCCC2)=C\C1=N/CCC.
What is the InChIKey of (6E)-6-ethylidene-5-[(4-methylcyclohexyl)methyl]-3-piperidin-1-yl-N-propylcyclohexa-2,4-dien-1-imine?
The InChIKey is HNJCGHSUJYSJGM-RMWPCYPCSA-N. The full InChI is InChI=1S/C24H38N2/c1-4-13-25-24-18-22(26-14-7-6-8-15-26)17-21(23(24)5-2)16-20-11-9-19(3)10-12-20/h5,17-20H,4,6-16H2,1-3H3/b23-5+,25-24+.
What are the key properties of (6E)-6-ethylidene-5-[(4-methylcyclohexyl)methyl]-3-piperidin-1-yl-N-propylcyclohexa-2,4-dien-1-imine?
(6E)-6-ethylidene-5-[(4-methylcyclohexyl)methyl]-3-piperidin-1-yl-N-propylcyclohexa-2,4-dien-1-imine has a molecular weight of 354.58 g/mol, XLogP of 6.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-ethylidene-5-[(4-methylcyclohexyl)methyl]-3-piperidin-1-yl-N-propylcyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 139420125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).