4-methyl-5-[(E)-2-methylpent-1-enyl]-1-oxa-9-azaspiro[5.5]undec-4-ene

C16H27NO — CID 169139757

IUPAC4-methyl-5-[(E)-2-methylpent-1-enyl]-1-oxa-9-azaspiro[5.5]undec-4-ene
SMILESCCC/C(C)=C/C1=C(C)CCOC12CCNCC2
InChIInChI=1S/C16H27NO/c1-4-5-13(2)12-15-14(3)6-11-18-16(15)7-9-17-10-8-16/h12,17H,4-11H2,1-3H3/b13-12+
InChIKeyMJRAHTLXPZVKBM-OUKQBFOZSA-N
MW249.40 g/mol
LogP3.59
Rot. Bonds3

About 4-methyl-5-[(E)-2-methylpent-1-enyl]-1-oxa-9-azaspiro[5.5]undec-4-ene

4-methyl-5-[(E)-2-methylpent-1-enyl]-1-oxa-9-azaspiro[5.5]undec-4-ene (PubChem CID 169139757) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 4-methyl-5-[(E)-2-methylpent-1-enyl]-1-oxa-9-azaspiro[5.5]undec-4-ene.

Molecular Properties

Compound Name4-methyl-5-[(E)-2-methylpent-1-enyl]-1-oxa-9-azaspiro[5.5]undec-4-ene
PubChem CID169139757
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name4-methyl-5-[(E)-2-methylpent-1-enyl]-1-oxa-9-azaspiro[5.5]undec-4-ene
SMILESCCC/C(C)=C/C1=C(C)CCOC12CCNCC2
InChIInChI=1S/C16H27NO/c1-4-5-13(2)12-15-14(3)6-11-18-16(15)7-9-17-10-8-16/h12,17H,4-11H2,1-3H3/b13-12+
InChIKeyMJRAHTLXPZVKBM-OUKQBFOZSA-N
XLogP3.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4-[(2E,4E)-4,6-difluorohepta-2,4,6-trien-2-yl]-4-methoxypiperidine
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4-[(6-Fluorocyclohexa-1,5-dien-1-yl)methoxy]-1,4-dimethylpiperidine
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4-[(4-Fluorocyclohexa-1,3-dien-1-yl)methoxy]piperidine
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(2E)-4-[(E)-but-2-en-2-yl]-2-[(E)-3-fluorobut-2-enylidene]-3-methylidene-1-oxa-9-azaspiro[5.5]undec-4-ene
CID 143304555
4-[5-Methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxypiperidine
CID 162578474
1-Oxa-9-azaspiro[5.5]undec-3-ene
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3,4-Dimethyl-1-oxa-8-azaspiro[4.5]dec-3-ene
CID 58641852
Spiro[3,4,5,6-tetrahydroisochromene-1,4'-piperidine]
CID 70219054
3,4-Dimethyl-1-oxa-8-azaspiro[4.5]dec-3-ene;ethane
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4-Cyclohexa-2,4-dien-1-yloxypiperidine
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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[(E)-2-methylpent-1-enyl]-1-oxa-9-azaspiro[5.5]undec-4-ene?
The IUPAC name of 4-methyl-5-[(E)-2-methylpent-1-enyl]-1-oxa-9-azaspiro[5.5]undec-4-ene (CID 169139757) is 4-methyl-5-[(E)-2-methylpent-1-enyl]-1-oxa-9-azaspiro[5.5]undec-4-ene.
What is the SMILES notation for 4-methyl-5-[(E)-2-methylpent-1-enyl]-1-oxa-9-azaspiro[5.5]undec-4-ene?
The canonical SMILES for 4-methyl-5-[(E)-2-methylpent-1-enyl]-1-oxa-9-azaspiro[5.5]undec-4-ene is CCC/C(C)=C/C1=C(C)CCOC12CCNCC2.
What is the InChIKey of 4-methyl-5-[(E)-2-methylpent-1-enyl]-1-oxa-9-azaspiro[5.5]undec-4-ene?
The InChIKey is MJRAHTLXPZVKBM-OUKQBFOZSA-N. The full InChI is InChI=1S/C16H27NO/c1-4-5-13(2)12-15-14(3)6-11-18-16(15)7-9-17-10-8-16/h12,17H,4-11H2,1-3H3/b13-12+.
What are the key properties of 4-methyl-5-[(E)-2-methylpent-1-enyl]-1-oxa-9-azaspiro[5.5]undec-4-ene?
4-methyl-5-[(E)-2-methylpent-1-enyl]-1-oxa-9-azaspiro[5.5]undec-4-ene has a molecular weight of 249.40 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[(E)-2-methylpent-1-enyl]-1-oxa-9-azaspiro[5.5]undec-4-ene is sourced from PubChem (CID 169139757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).