8-cyclohexa-1,5-dien-1-yl-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine

C16H25NO2 — CID 144998255

IUPAC8-cyclohexa-1,5-dien-1-yl-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCN(C)C1(C2=CCCC=C2)CCC2(CC1)OCCO2
InChIInChI=1S/C16H25NO2/c1-17(2)15(14-6-4-3-5-7-14)8-10-16(11-9-15)18-12-13-19-16/h4,6-7H,3,5,8-13H2,1-2H3
InChIKeyUVDZUVYGHWRPOS-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.88
Rot. Bonds2

About 8-cyclohexa-1,5-dien-1-yl-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine

8-cyclohexa-1,5-dien-1-yl-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 144998255) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 8-cyclohexa-1,5-dien-1-yl-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound Name8-cyclohexa-1,5-dien-1-yl-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID144998255
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name8-cyclohexa-1,5-dien-1-yl-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCN(C)C1(C2=CCCC=C2)CCC2(CC1)OCCO2
InChIInChI=1S/C16H25NO2/c1-17(2)15(14-6-4-3-5-7-14)8-10-16(11-9-15)18-12-13-19-16/h4,6-7H,3,5,8-13H2,1-2H3
InChIKeyUVDZUVYGHWRPOS-UHFFFAOYSA-N
XLogP2.88
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-cyclohexa-1,5-dien-1-yl-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine with MolForge

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Related Compounds

2-cyclohexa-1,5-dien-1-yl-2-methyl-1,3-dioxolane
CID 163422201
8-(4-tert-butylphenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 12595636
N,N-dimethyl-8-(3-methylphenyl)-1,4-dioxaspiro[4.5]decan-8-amine;hydrochloride
CID 68976332
1-cyclohexa-1,5-dien-1-ylcyclopropane-1-carbaldehyde
CID 91507539
1-cyclohexa-1,5-dien-1-ylcyclopropane-1-carbonitrile
CID 149201129
1-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)ethanone
CID 151473274
8-cyclohexa-1,5-dien-1-yl-8-(dimethylamino)-3-[2-(piperazine-1-carbonyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one
CID 155198501
1-cyclohexa-1,5-dien-1-yl-4-methylcyclohexan-1-ol
CID 143189862
N-methyl-1-phenyl-N-[(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)methyl]methanamine
CID 68633152
ethane;8-methyl-1,4-dioxaspiro[4.5]decan-8-ol
CID 143931263
ethane;ethene;2-[(2R)-1,2,3-trimethylcyclopropyl]cyclohexa-1,3-diene
CID 144774189
8-cyclohepta-1,3,6-trien-1-yl-1,4-dioxa-8-azaspiro[4.5]decane
CID 142117794

Frequently Asked Questions

What is the IUPAC name of 8-cyclohexa-1,5-dien-1-yl-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of 8-cyclohexa-1,5-dien-1-yl-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine (CID 144998255) is 8-cyclohexa-1,5-dien-1-yl-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for 8-cyclohexa-1,5-dien-1-yl-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for 8-cyclohexa-1,5-dien-1-yl-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine is CN(C)C1(C2=CCCC=C2)CCC2(CC1)OCCO2.
What is the InChIKey of 8-cyclohexa-1,5-dien-1-yl-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is UVDZUVYGHWRPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-17(2)15(14-6-4-3-5-7-14)8-10-16(11-9-15)18-12-13-19-16/h4,6-7H,3,5,8-13H2,1-2H3.
What are the key properties of 8-cyclohexa-1,5-dien-1-yl-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine?
8-cyclohexa-1,5-dien-1-yl-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 263.38 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclohexa-1,5-dien-1-yl-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 144998255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).