(6E,7Z)-6,7-di(ethylidene)-5-oxaspiro[3.5]nonan-8-amine;ethane

C14H25NO — CID 145474104

IUPAC(6E,7Z)-6,7-di(ethylidene)-5-oxaspiro[3.5]nonan-8-amine;ethane
SMILESC/C=C1C(=C/C)\OC2(CCC2)CC\1N.CC
InChIInChI=1S/C12H19NO.C2H6/c1-3-9-10(13)8-12(6-5-7-12)14-11(9)4-2;1-2/h3-4,10H,5-8,13H2,1-2H3;1-2H3/b9-3-,11-4+;
InChIKeyMVQBBYMGZMOCLT-BPMLPNQQSA-N
MW223.36 g/mol
LogP3.53
Rot. Bonds

About (6E,7Z)-6,7-di(ethylidene)-5-oxaspiro[3.5]nonan-8-amine;ethane

(6E,7Z)-6,7-di(ethylidene)-5-oxaspiro[3.5]nonan-8-amine;ethane (PubChem CID 145474104) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is (6E,7Z)-6,7-di(ethylidene)-5-oxaspiro[3.5]nonan-8-amine;ethane.

Molecular Properties

Compound Name(6E,7Z)-6,7-di(ethylidene)-5-oxaspiro[3.5]nonan-8-amine;ethane
PubChem CID145474104
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name(6E,7Z)-6,7-di(ethylidene)-5-oxaspiro[3.5]nonan-8-amine;ethane
SMILESC/C=C1C(=C/C)\OC2(CCC2)CC\1N.CC
InChIInChI=1S/C12H19NO.C2H6/c1-3-9-10(13)8-12(6-5-7-12)14-11(9)4-2;1-2/h3-4,10H,5-8,13H2,1-2H3;1-2H3/b9-3-,11-4+;
InChIKeyMVQBBYMGZMOCLT-BPMLPNQQSA-N
XLogP3.53
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5Z,6E)-2-ethyl-5-ethylidene-6-propylideneoxan-2-yl]-N-methylethanamine
CID 142283425
ethane;(6E,7Z)-6-ethylidene-N-methyl-7-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine
CID 145474100
ethane;(6E)-7-methylidene-6-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine
CID 145474102
(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 (6E,7Z)-6,7-di(ethylidene)-5-oxaspiro[3.5]nonan-8-amine;ethane?
The IUPAC name of (6E,7Z)-6,7-di(ethylidene)-5-oxaspiro[3.5]nonan-8-amine;ethane (CID 145474104) is (6E,7Z)-6,7-di(ethylidene)-5-oxaspiro[3.5]nonan-8-amine;ethane.
What is the SMILES notation for (6E,7Z)-6,7-di(ethylidene)-5-oxaspiro[3.5]nonan-8-amine;ethane?
The canonical SMILES for (6E,7Z)-6,7-di(ethylidene)-5-oxaspiro[3.5]nonan-8-amine;ethane is C/C=C1C(=C/C)\OC2(CCC2)CC\1N.CC.
What is the InChIKey of (6E,7Z)-6,7-di(ethylidene)-5-oxaspiro[3.5]nonan-8-amine;ethane?
The InChIKey is MVQBBYMGZMOCLT-BPMLPNQQSA-N. The full InChI is InChI=1S/C12H19NO.C2H6/c1-3-9-10(13)8-12(6-5-7-12)14-11(9)4-2;1-2/h3-4,10H,5-8,13H2,1-2H3;1-2H3/b9-3-,11-4+;.
What are the key properties of (6E,7Z)-6,7-di(ethylidene)-5-oxaspiro[3.5]nonan-8-amine;ethane?
(6E,7Z)-6,7-di(ethylidene)-5-oxaspiro[3.5]nonan-8-amine;ethane has a molecular weight of 223.36 g/mol, XLogP of 3.53, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,7Z)-6,7-di(ethylidene)-5-oxaspiro[3.5]nonan-8-amine;ethane is sourced from PubChem (CID 145474104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).