(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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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).