6-cyclohexyl-2-[[4-(methoxymethyl)-2,6-dimethylcyclohexa-1,5-dien-1-yl]methyl]-6-methyl-2,3-dihydro-1H-pyridin-5-ol

C23H37NO2 — CID 70841931

IUPAC6-cyclohexyl-2-[[4-(methoxymethyl)-2,6-dimethylcyclohexa-1,5-dien-1-yl]methyl]-6-methyl-2,3-dihydro-1H-pyridin-5-ol
SMILESCOCC1C=C(C)C(CC2CC=C(O)C(C)(C3CCCCC3)N2)=C(C)C1
InChIInChI=1S/C23H37NO2/c1-16-12-18(15-26-4)13-17(2)21(16)14-20-10-11-22(25)23(3,24-20)19-8-6-5-7-9-19/h11-12,18-20,24-25H,5-10,13-15H2,1-4H3
InChIKeyCTFBSICJUKSJJT-UHFFFAOYSA-N
MW359.55 g/mol
LogP5.45
Rot. Bonds5

About 6-cyclohexyl-2-[[4-(methoxymethyl)-2,6-dimethylcyclohexa-1,5-dien-1-yl]methyl]-6-methyl-2,3-dihydro-1H-pyridin-5-ol

6-cyclohexyl-2-[[4-(methoxymethyl)-2,6-dimethylcyclohexa-1,5-dien-1-yl]methyl]-6-methyl-2,3-dihydro-1H-pyridin-5-ol (PubChem CID 70841931) has the molecular formula C23H37NO2 and a molecular weight of 359.55 g/mol. Its IUPAC name is 6-cyclohexyl-2-[[4-(methoxymethyl)-2,6-dimethylcyclohexa-1,5-dien-1-yl]methyl]-6-methyl-2,3-dihydro-1H-pyridin-5-ol.

Molecular Properties

Compound Name6-cyclohexyl-2-[[4-(methoxymethyl)-2,6-dimethylcyclohexa-1,5-dien-1-yl]methyl]-6-methyl-2,3-dihydro-1H-pyridin-5-ol
PubChem CID70841931
Molecular FormulaC23H37NO2
Molecular Weight359.55 g/mol
Exact Mass359.28
IUPAC Name6-cyclohexyl-2-[[4-(methoxymethyl)-2,6-dimethylcyclohexa-1,5-dien-1-yl]methyl]-6-methyl-2,3-dihydro-1H-pyridin-5-ol
SMILESCOCC1C=C(C)C(CC2CC=C(O)C(C)(C3CCCCC3)N2)=C(C)C1
InChIInChI=1S/C23H37NO2/c1-16-12-18(15-26-4)13-17(2)21(16)14-20-10-11-22(25)23(3,24-20)19-8-6-5-7-9-19/h11-12,18-20,24-25H,5-10,13-15H2,1-4H3
InChIKeyCTFBSICJUKSJJT-UHFFFAOYSA-N
XLogP5.45
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.55
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-2-[[4-(methoxymethyl)-2,6-dimethylcyclohexa-1,5-dien-1-yl]methyl]-6-methyl-2,3-dihydro-1H-pyridin-5-ol?
The IUPAC name of 6-cyclohexyl-2-[[4-(methoxymethyl)-2,6-dimethylcyclohexa-1,5-dien-1-yl]methyl]-6-methyl-2,3-dihydro-1H-pyridin-5-ol (CID 70841931) is 6-cyclohexyl-2-[[4-(methoxymethyl)-2,6-dimethylcyclohexa-1,5-dien-1-yl]methyl]-6-methyl-2,3-dihydro-1H-pyridin-5-ol.
What is the SMILES notation for 6-cyclohexyl-2-[[4-(methoxymethyl)-2,6-dimethylcyclohexa-1,5-dien-1-yl]methyl]-6-methyl-2,3-dihydro-1H-pyridin-5-ol?
The canonical SMILES for 6-cyclohexyl-2-[[4-(methoxymethyl)-2,6-dimethylcyclohexa-1,5-dien-1-yl]methyl]-6-methyl-2,3-dihydro-1H-pyridin-5-ol is COCC1C=C(C)C(CC2CC=C(O)C(C)(C3CCCCC3)N2)=C(C)C1.
What is the InChIKey of 6-cyclohexyl-2-[[4-(methoxymethyl)-2,6-dimethylcyclohexa-1,5-dien-1-yl]methyl]-6-methyl-2,3-dihydro-1H-pyridin-5-ol?
The InChIKey is CTFBSICJUKSJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37NO2/c1-16-12-18(15-26-4)13-17(2)21(16)14-20-10-11-22(25)23(3,24-20)19-8-6-5-7-9-19/h11-12,18-20,24-25H,5-10,13-15H2,1-4H3.
What are the key properties of 6-cyclohexyl-2-[[4-(methoxymethyl)-2,6-dimethylcyclohexa-1,5-dien-1-yl]methyl]-6-methyl-2,3-dihydro-1H-pyridin-5-ol?
6-cyclohexyl-2-[[4-(methoxymethyl)-2,6-dimethylcyclohexa-1,5-dien-1-yl]methyl]-6-methyl-2,3-dihydro-1H-pyridin-5-ol has a molecular weight of 359.55 g/mol, XLogP of 5.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-2-[[4-(methoxymethyl)-2,6-dimethylcyclohexa-1,5-dien-1-yl]methyl]-6-methyl-2,3-dihydro-1H-pyridin-5-ol is sourced from PubChem (CID 70841931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).