ethane;6-methyl-3-oxa-6-azabicyclo[8.5.0]pentadeca-1(10),11,14-triene

C18H33NO — CID 144539742

IUPACethane;6-methyl-3-oxa-6-azabicyclo[8.5.0]pentadeca-1(10),11,14-triene
SMILESCC.CC.CN1CCCC2=C(C=CCC=C2)COCC1
InChIInChI=1S/C14H21NO.2C2H6/c1-15-9-5-8-13-6-3-2-4-7-14(13)12-16-11-10-15;2*1-2/h3-4,6-7H,2,5,8-12H2,1H3;2*1-2H3
InChIKeyYETQXGBADXLRHD-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.59
Rot. Bonds

About ethane;6-methyl-3-oxa-6-azabicyclo[8.5.0]pentadeca-1(10),11,14-triene

ethane;6-methyl-3-oxa-6-azabicyclo[8.5.0]pentadeca-1(10),11,14-triene (PubChem CID 144539742) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is ethane;6-methyl-3-oxa-6-azabicyclo[8.5.0]pentadeca-1(10),11,14-triene.

Molecular Properties

Compound Nameethane;6-methyl-3-oxa-6-azabicyclo[8.5.0]pentadeca-1(10),11,14-triene
PubChem CID144539742
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Nameethane;6-methyl-3-oxa-6-azabicyclo[8.5.0]pentadeca-1(10),11,14-triene
SMILESCC.CC.CN1CCCC2=C(C=CCC=C2)COCC1
InChIInChI=1S/C14H21NO.2C2H6/c1-15-9-5-8-13-6-3-2-4-7-14(13)12-16-11-10-15;2*1-2/h3-4,6-7H,2,5,8-12H2,1H3;2*1-2H3
InChIKeyYETQXGBADXLRHD-UHFFFAOYSA-N
XLogP4.59
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-[2-[(3Z)-6-methyl-5-methylidenehepta-1,3,6-trien-2-yl]oxyethyl]piperidine
CID 141825118
ethane;(2R)-2-ethyl-1-[2-[(Z,2E)-2-ethylidenepent-3-enoxy]ethyl]-1-methylpyrrolidin-1-ium
CID 142980175
Ethane;methane;1-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]piperidine
CID 143178162
carbanide;ethane;1-[2-[(2Z,4E,7E)-5-ethenyl-7-methyldodeca-2,4,7,9,11-pentaen-6-yl]oxyethyl]pyrrolidine;tetrakis(yttrium)
CID 145668106
butyl-ethyl-[2-[(3Z,5Z)-2-methylidenehepta-3,5-dienoxy]ethyl]-propylazanium
CID 167055850
1-[2-[(3Z)-6-methyl-5-methylidenehepta-1,3,6-trien-2-yl]oxyethyl]piperidine
CID 141825119
6-[(2E,4Z)-3-ethylhepta-2,4,6-trienoxy]-N-(2-methoxyethyl)-N-methylhexan-1-amine
CID 141986857
1-[2-[(3Z,6E,8E)-8-ethenyl-6-[(Z,1E)-1-ethylidenepent-2-enyl]-7-methyl-5-methylideneundeca-1,3,6,8,10-pentaen-2-yl]oxyethyl]pyrrolidine
CID 143378620
(Z)-N-butyl-4-[(Z)-3-methoxyprop-1-enyl]-N-methylhept-4-en-1-amine
CID 143615649
6-Methyl-3-oxa-6-azabicyclo[8.5.0]pentadeca-1(10),11,14-triene
CID 144539743
1-[2-[(2Z,4E,7E)-5-ethenyl-7-methyldodeca-2,4,7,9,11-pentaen-6-yl]oxyethyl]pyrrolidine
CID 145668107

Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-3-oxa-6-azabicyclo[8.5.0]pentadeca-1(10),11,14-triene?
The IUPAC name of ethane;6-methyl-3-oxa-6-azabicyclo[8.5.0]pentadeca-1(10),11,14-triene (CID 144539742) is ethane;6-methyl-3-oxa-6-azabicyclo[8.5.0]pentadeca-1(10),11,14-triene.
What is the SMILES notation for ethane;6-methyl-3-oxa-6-azabicyclo[8.5.0]pentadeca-1(10),11,14-triene?
The canonical SMILES for ethane;6-methyl-3-oxa-6-azabicyclo[8.5.0]pentadeca-1(10),11,14-triene is CC.CC.CN1CCCC2=C(C=CCC=C2)COCC1.
What is the InChIKey of ethane;6-methyl-3-oxa-6-azabicyclo[8.5.0]pentadeca-1(10),11,14-triene?
The InChIKey is YETQXGBADXLRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO.2C2H6/c1-15-9-5-8-13-6-3-2-4-7-14(13)12-16-11-10-15;2*1-2/h3-4,6-7H,2,5,8-12H2,1H3;2*1-2H3.
What are the key properties of ethane;6-methyl-3-oxa-6-azabicyclo[8.5.0]pentadeca-1(10),11,14-triene?
ethane;6-methyl-3-oxa-6-azabicyclo[8.5.0]pentadeca-1(10),11,14-triene has a molecular weight of 279.47 g/mol, XLogP of 4.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-3-oxa-6-azabicyclo[8.5.0]pentadeca-1(10),11,14-triene is sourced from PubChem (CID 144539742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).