3-cyclohexyl-1-[[6-(4-ethylcyclohexyl)oxynaphthalen-2-yl]methyl]azetidine

C28H39NO — CID 154133558

IUPAC3-cyclohexyl-1-[[6-(4-ethylcyclohexyl)oxynaphthalen-2-yl]methyl]azetidine
SMILESCCC1CCC(Oc2ccc3cc(CN4CC(C5CCCCC5)C4)ccc3c2)CC1
InChIInChI=1S/C28H39NO/c1-2-21-9-13-27(14-10-21)30-28-15-12-24-16-22(8-11-25(24)17-28)18-29-19-26(20-29)23-6-4-3-5-7-23/h8,11-12,15-17,21,23,26-27H,2-7,9-10,13-14,18-20H2,1H3
InChIKeyCFGMBUBLKSMNKS-UHFFFAOYSA-N
MW405.63 g/mol
LogP7.20
Rot. Bonds6

About 3-cyclohexyl-1-[[6-(4-ethylcyclohexyl)oxynaphthalen-2-yl]methyl]azetidine

3-cyclohexyl-1-[[6-(4-ethylcyclohexyl)oxynaphthalen-2-yl]methyl]azetidine (PubChem CID 154133558) has the molecular formula C28H39NO and a molecular weight of 405.63 g/mol. Its IUPAC name is 3-cyclohexyl-1-[[6-(4-ethylcyclohexyl)oxynaphthalen-2-yl]methyl]azetidine.

Molecular Properties

Compound Name3-cyclohexyl-1-[[6-(4-ethylcyclohexyl)oxynaphthalen-2-yl]methyl]azetidine
PubChem CID154133558
Molecular FormulaC28H39NO
Molecular Weight405.63 g/mol
Exact Mass405.30
IUPAC Name3-cyclohexyl-1-[[6-(4-ethylcyclohexyl)oxynaphthalen-2-yl]methyl]azetidine
SMILESCCC1CCC(Oc2ccc3cc(CN4CC(C5CCCCC5)C4)ccc3c2)CC1
InChIInChI=1S/C28H39NO/c1-2-21-9-13-27(14-10-21)30-28-15-12-24-16-22(8-11-25(24)17-28)18-29-19-26(20-29)23-6-4-3-5-7-23/h8,11-12,15-17,21,23,26-27H,2-7,9-10,13-14,18-20H2,1H3
InChIKeyCFGMBUBLKSMNKS-UHFFFAOYSA-N
XLogP7.20
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.63
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[6-(4-ethylcyclohexyl)oxynaphthalen-2-yl]methyl]-4-methylpiperidine
CID 126757457
3-cyclohexyl-1-[(6-heptoxynaphthalen-2-yl)methyl]azetidine
CID 141397915
1-[[6-[4-(methoxymethyl)cyclohexyl]oxynaphthalen-2-yl]methyl]piperidine
CID 141348697
1-[[6-(4,4-dimethylcyclohexyl)oxynaphthalen-2-yl]methyl]-3-(3-methylperoxycyclohexyl)azetidine
CID 144562450
4-cyclopentylcyclohexan-1-ol;methane;methyl 1-[[6-(4-cyclopentylcyclohexyl)oxynaphthalen-2-yl]methyl]azetidine-3-carboxylate;methyl 1-[(6-hydroxynaphthalen-2-yl)methyl]azetidine-3-carboxylate
CID 159428529
cis-(1R,3S)-3-[1-[[6-(4,4-dimethylcyclohexyl)oxynaphthalen-2-yl]methyl]azetidin-3-yl]cyclohexane-1-carboxylic acid
CID 129407122
3-[1-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methyl]azetidin-3-yl]cyclohexane-1-carboxylic acid;methyl 3-[1-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methyl]azetidin-3-yl]cyclohexane-1-carboxylate
CID 159092343
2-ethyl-1-[[6-[4-(propoxymethyl)cyclohexyl]oxynaphthalen-2-yl]methyl]piperidine
CID 159427397
methyl 1-[[6-[4-(2-methoxypropan-2-yl)cyclohexyl]oxynaphthalen-2-yl]methyl]azetidine-3-carboxylate
CID 66926452
ethyl 1-[[6-(4-methylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4-carboxylate
CID 118347020
6-(4-ethylcyclohexyl)oxy-3,4-dihydro-2H-naphthalen-1-one
CID 64748496
ethyl (3R)-1-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-3-carboxylate
CID 66926766

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-[[6-(4-ethylcyclohexyl)oxynaphthalen-2-yl]methyl]azetidine?
The IUPAC name of 3-cyclohexyl-1-[[6-(4-ethylcyclohexyl)oxynaphthalen-2-yl]methyl]azetidine (CID 154133558) is 3-cyclohexyl-1-[[6-(4-ethylcyclohexyl)oxynaphthalen-2-yl]methyl]azetidine.
What is the SMILES notation for 3-cyclohexyl-1-[[6-(4-ethylcyclohexyl)oxynaphthalen-2-yl]methyl]azetidine?
The canonical SMILES for 3-cyclohexyl-1-[[6-(4-ethylcyclohexyl)oxynaphthalen-2-yl]methyl]azetidine is CCC1CCC(Oc2ccc3cc(CN4CC(C5CCCCC5)C4)ccc3c2)CC1.
What is the InChIKey of 3-cyclohexyl-1-[[6-(4-ethylcyclohexyl)oxynaphthalen-2-yl]methyl]azetidine?
The InChIKey is CFGMBUBLKSMNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39NO/c1-2-21-9-13-27(14-10-21)30-28-15-12-24-16-22(8-11-25(24)17-28)18-29-19-26(20-29)23-6-4-3-5-7-23/h8,11-12,15-17,21,23,26-27H,2-7,9-10,13-14,18-20H2,1H3.
What are the key properties of 3-cyclohexyl-1-[[6-(4-ethylcyclohexyl)oxynaphthalen-2-yl]methyl]azetidine?
3-cyclohexyl-1-[[6-(4-ethylcyclohexyl)oxynaphthalen-2-yl]methyl]azetidine has a molecular weight of 405.63 g/mol, XLogP of 7.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-[[6-(4-ethylcyclohexyl)oxynaphthalen-2-yl]methyl]azetidine is sourced from PubChem (CID 154133558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).