ethane;(6E)-7-methylidene-6-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine

C14H23NO — CID 145474102

IUPACethane;(6E)-7-methylidene-6-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine
SMILESC=C/C=C1/OC2(CCC2)CC(N)C1=C.CC
InChIInChI=1S/C12H17NO.C2H6/c1-3-5-11-9(2)10(13)8-12(14-11)6-4-7-12;1-2/h3,5,10H,1-2,4,6-8,13H2;1-2H3/b11-5+;
InChIKeyFNOSSGCPGRODOR-HMXKFKBXSA-N
MW221.34 g/mol
LogP3.31
Rot. Bonds1

About ethane;(6E)-7-methylidene-6-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine

ethane;(6E)-7-methylidene-6-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine (PubChem CID 145474102) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is ethane;(6E)-7-methylidene-6-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine.

Molecular Properties

Compound Nameethane;(6E)-7-methylidene-6-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine
PubChem CID145474102
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Nameethane;(6E)-7-methylidene-6-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine
SMILESC=C/C=C1/OC2(CCC2)CC(N)C1=C.CC
InChIInChI=1S/C12H17NO.C2H6/c1-3-5-11-9(2)10(13)8-12(14-11)6-4-7-12;1-2/h3,5,10H,1-2,4,6-8,13H2;1-2H3/b11-5+;
InChIKeyFNOSSGCPGRODOR-HMXKFKBXSA-N
XLogP3.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;(6E,7Z)-6-ethylidene-N-methyl-7-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine
CID 145474100
(6E,7Z)-6,7-di(ethylidene)-5-oxaspiro[3.5]nonan-8-amine;ethane
CID 145474104
(6E,7Z)-6-(aminomethylidene)-N-methyl-7-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine;ethane
CID 145474109
(6E,7Z)-6-ethylidene-N-methyl-7-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine
CID 145474101
(6E)-7-methylidene-6-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine
CID 145474103
(6E,7Z)-6,7-di(ethylidene)-5-oxaspiro[3.5]nonan-8-amine
CID 145474105
(6E,7Z)-6-(aminomethylidene)-N-methyl-7-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine
CID 145474110

Frequently Asked Questions

What is the IUPAC name of ethane;(6E)-7-methylidene-6-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine?
The IUPAC name of ethane;(6E)-7-methylidene-6-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine (CID 145474102) is ethane;(6E)-7-methylidene-6-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine.
What is the SMILES notation for ethane;(6E)-7-methylidene-6-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine?
The canonical SMILES for ethane;(6E)-7-methylidene-6-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine is C=C/C=C1/OC2(CCC2)CC(N)C1=C.CC.
What is the InChIKey of ethane;(6E)-7-methylidene-6-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine?
The InChIKey is FNOSSGCPGRODOR-HMXKFKBXSA-N. The full InChI is InChI=1S/C12H17NO.C2H6/c1-3-5-11-9(2)10(13)8-12(14-11)6-4-7-12;1-2/h3,5,10H,1-2,4,6-8,13H2;1-2H3/b11-5+;.
What are the key properties of ethane;(6E)-7-methylidene-6-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine?
ethane;(6E)-7-methylidene-6-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine has a molecular weight of 221.34 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(6E)-7-methylidene-6-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine is sourced from PubChem (CID 145474102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).