6-(2-cyclohexa-1,5-dien-1-yloxyethyl)-7-methyl-6-azaspiro[2.5]octane

C16H25NO — CID 123449060

IUPAC6-(2-cyclohexa-1,5-dien-1-yloxyethyl)-7-methyl-6-azaspiro[2.5]octane
SMILESCC1CC2(CCN1CCOC1=CCCC=C1)CC2
InChIInChI=1S/C16H25NO/c1-14-13-16(7-8-16)9-10-17(14)11-12-18-15-5-3-2-4-6-15/h3,5-6,14H,2,4,7-13H2,1H3
InChIKeyDKPSLRPDJDRMOY-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.50
Rot. Bonds4

About 6-(2-cyclohexa-1,5-dien-1-yloxyethyl)-7-methyl-6-azaspiro[2.5]octane

6-(2-cyclohexa-1,5-dien-1-yloxyethyl)-7-methyl-6-azaspiro[2.5]octane (PubChem CID 123449060) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 6-(2-cyclohexa-1,5-dien-1-yloxyethyl)-7-methyl-6-azaspiro[2.5]octane.

Molecular Properties

Compound Name6-(2-cyclohexa-1,5-dien-1-yloxyethyl)-7-methyl-6-azaspiro[2.5]octane
PubChem CID123449060
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name6-(2-cyclohexa-1,5-dien-1-yloxyethyl)-7-methyl-6-azaspiro[2.5]octane
SMILESCC1CC2(CCN1CCOC1=CCCC=C1)CC2
InChIInChI=1S/C16H25NO/c1-14-13-16(7-8-16)9-10-17(14)11-12-18-15-5-3-2-4-6-15/h3,5-6,14H,2,4,7-13H2,1H3
InChIKeyDKPSLRPDJDRMOY-UHFFFAOYSA-N
XLogP3.50
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(4-Tert-butylcyclohexa-1,5-dien-1-yl)oxyethyl]morpholine
CID 71198748
7-tert-butyl-6-[2-[(2E,4Z)-hexa-2,4-dien-3-yl]oxyethyl]-6-azaspiro[2.5]octane
CID 131966914
6-[2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxyethyl]-7-propan-2-yl-6-azaspiro[2.5]octane
CID 131966916
N-methyl-N-[2-[4-(2-methylbutan-2-yl)cyclohexa-1,5-dien-1-yl]oxyethyl]hexan-1-amine
CID 141773384
1-[2-(4-Tert-butylcyclohexa-1,5-dien-1-yl)oxyethyl]-5-ethyl-2-methylpiperidine
CID 141773457
4-[2-(4-Tert-butylcyclohexa-1,5-dien-1-yl)oxyethyl]-2,6-dimethylmorpholine
CID 141773464
1-[2-(4-Butan-2-ylcyclohexa-1,5-dien-1-yl)oxyethyl]-3-methylpiperidine
CID 141773509
1-[2-(4-Butan-2-ylcyclohexa-1,5-dien-1-yl)oxyethyl]-2-ethylpiperidine
CID 141773524
1-[2-[4-(2,3-Dimethylbutan-2-yl)cyclohexa-2,4-dien-1-yl]oxyethyl]-2-methylpiperidine
CID 141773533
3-Methyl-1-[2-[4-(2,4,4-trimethylpentan-2-yl)cyclohexa-2,4-dien-1-yl]oxyethyl]piperidine
CID 141773546
N-methyl-N-[2-[4-(2,4,4-trimethylpentan-2-yl)cyclohexa-1,5-dien-1-yl]oxypropyl]cyclohexanamine
CID 141773592
3,5-Dimethyl-1-[2-[4-(2-methylhexan-2-yl)cyclohexa-1,5-dien-1-yl]oxyethyl]piperidine
CID 141773604

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclohexa-1,5-dien-1-yloxyethyl)-7-methyl-6-azaspiro[2.5]octane?
The IUPAC name of 6-(2-cyclohexa-1,5-dien-1-yloxyethyl)-7-methyl-6-azaspiro[2.5]octane (CID 123449060) is 6-(2-cyclohexa-1,5-dien-1-yloxyethyl)-7-methyl-6-azaspiro[2.5]octane.
What is the SMILES notation for 6-(2-cyclohexa-1,5-dien-1-yloxyethyl)-7-methyl-6-azaspiro[2.5]octane?
The canonical SMILES for 6-(2-cyclohexa-1,5-dien-1-yloxyethyl)-7-methyl-6-azaspiro[2.5]octane is CC1CC2(CCN1CCOC1=CCCC=C1)CC2.
What is the InChIKey of 6-(2-cyclohexa-1,5-dien-1-yloxyethyl)-7-methyl-6-azaspiro[2.5]octane?
The InChIKey is DKPSLRPDJDRMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-14-13-16(7-8-16)9-10-17(14)11-12-18-15-5-3-2-4-6-15/h3,5-6,14H,2,4,7-13H2,1H3.
What are the key properties of 6-(2-cyclohexa-1,5-dien-1-yloxyethyl)-7-methyl-6-azaspiro[2.5]octane?
6-(2-cyclohexa-1,5-dien-1-yloxyethyl)-7-methyl-6-azaspiro[2.5]octane has a molecular weight of 247.38 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclohexa-1,5-dien-1-yloxyethyl)-7-methyl-6-azaspiro[2.5]octane is sourced from PubChem (CID 123449060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).