(4E)-4-butylidene-8-methyl-3-methylidene-1-oxa-8-azaspiro[4.5]decane

C14H23NO — CID 137428979

IUPAC(4E)-4-butylidene-8-methyl-3-methylidene-1-oxa-8-azaspiro[4.5]decane
SMILESC=C1COC2(CCN(C)CC2)/C1=C/CCC
InChIInChI=1S/C14H23NO/c1-4-5-6-13-12(2)11-16-14(13)7-9-15(3)10-8-14/h6H,2,4-5,7-11H2,1,3H3/b13-6+
InChIKeyUJEYINPFZTWKNX-AWNIVKPZSA-N
MW221.34 g/mol
LogP2.76
Rot. Bonds2

About (4E)-4-butylidene-8-methyl-3-methylidene-1-oxa-8-azaspiro[4.5]decane

(4E)-4-butylidene-8-methyl-3-methylidene-1-oxa-8-azaspiro[4.5]decane (PubChem CID 137428979) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is (4E)-4-butylidene-8-methyl-3-methylidene-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(4E)-4-butylidene-8-methyl-3-methylidene-1-oxa-8-azaspiro[4.5]decane
PubChem CID137428979
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name(4E)-4-butylidene-8-methyl-3-methylidene-1-oxa-8-azaspiro[4.5]decane
SMILESC=C1COC2(CCN(C)CC2)/C1=C/CCC
InChIInChI=1S/C14H23NO/c1-4-5-6-13-12(2)11-16-14(13)7-9-15(3)10-8-14/h6H,2,4-5,7-11H2,1,3H3/b13-6+
InChIKeyUJEYINPFZTWKNX-AWNIVKPZSA-N
XLogP2.76
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,8-Dimethyl-3-methylene-1-oxa-8-azaspiro(4,5)decane
CID 177233
(2R)-2,8-dimethyl-3-methylidene-1-oxa-8-azaspiro[4.5]decane
CID 10313386
2,8-Dimethyl-3-methylidene-1-oxa-8-azaspiro[4.5]decane;hydrochloride
CID 14852034
8-Methyl-3-methylidene-1-oxa-8-azaspiro[4.5]decane
CID 10352065
4-[(6-Fluorocyclohexa-1,5-dien-1-yl)methoxy]-1,4-dimethylpiperidine
CID 144279161
(S)-2,8-Dimethyl-3-methylene-1-oxa-8-azaspiro[4.5]decane
CID 6918122
(3Z)-3-ethylidene-2,8-dimethyl-1-oxa-8-azaspiro[4.5]decane
CID 19939730
3-Ethylidene-2,8-dimethyl-1-oxa-8-azaspiro[4.5]decane
CID 54297161
methyl (2Z)-2-(8-methyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)acetate
CID 67712847
Methyl 2-(8-methyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)acetate
CID 67712851
1'-methylspiro[3a,7a-dihydro-3H-1-benzofuran-2,4'-piperidine]
CID 91338235
8-ethyl-2-methyl-3,4-bis[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-ene
CID 130220142

Frequently Asked Questions

What is the IUPAC name of (4E)-4-butylidene-8-methyl-3-methylidene-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of (4E)-4-butylidene-8-methyl-3-methylidene-1-oxa-8-azaspiro[4.5]decane (CID 137428979) is (4E)-4-butylidene-8-methyl-3-methylidene-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (4E)-4-butylidene-8-methyl-3-methylidene-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for (4E)-4-butylidene-8-methyl-3-methylidene-1-oxa-8-azaspiro[4.5]decane is C=C1COC2(CCN(C)CC2)/C1=C/CCC.
What is the InChIKey of (4E)-4-butylidene-8-methyl-3-methylidene-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is UJEYINPFZTWKNX-AWNIVKPZSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-5-6-13-12(2)11-16-14(13)7-9-15(3)10-8-14/h6H,2,4-5,7-11H2,1,3H3/b13-6+.
What are the key properties of (4E)-4-butylidene-8-methyl-3-methylidene-1-oxa-8-azaspiro[4.5]decane?
(4E)-4-butylidene-8-methyl-3-methylidene-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 221.34 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-butylidene-8-methyl-3-methylidene-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 137428979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).