ethane;(6E,7Z)-6-ethylidene-N-methyl-7-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine

C16H27NO — CID 145474100

IUPACethane;(6E,7Z)-6-ethylidene-N-methyl-7-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine
SMILESC=C/C=C1C(=C/C)\OC2(CCC2)CC\1NC.CC
InChIInChI=1S/C14H21NO.C2H6/c1-4-7-11-12(15-3)10-14(8-6-9-14)16-13(11)5-2;1-2/h4-5,7,12,15H,1,6,8-10H2,2-3H3;1-2H3/b11-7-,13-5+;
InChIKeyQUVDPFRZEWSYFA-HBDNQKBOSA-N
MW249.40 g/mol
LogP3.96
Rot. Bonds2

About ethane;(6E,7Z)-6-ethylidene-N-methyl-7-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine

ethane;(6E,7Z)-6-ethylidene-N-methyl-7-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine (PubChem CID 145474100) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is ethane;(6E,7Z)-6-ethylidene-N-methyl-7-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine.

Molecular Properties

Compound Nameethane;(6E,7Z)-6-ethylidene-N-methyl-7-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine
PubChem CID145474100
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Nameethane;(6E,7Z)-6-ethylidene-N-methyl-7-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine
SMILESC=C/C=C1C(=C/C)\OC2(CCC2)CC\1NC.CC
InChIInChI=1S/C14H21NO.C2H6/c1-4-7-11-12(15-3)10-14(8-6-9-14)16-13(11)5-2;1-2/h4-5,7,12,15H,1,6,8-10H2,2-3H3;1-2H3/b11-7-,13-5+;
InChIKeyQUVDPFRZEWSYFA-HBDNQKBOSA-N
XLogP3.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.96
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)-7-methylidene-6-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine
CID 145474102
(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,7Z)-6-ethylidene-N-methyl-7-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine?
The IUPAC name of ethane;(6E,7Z)-6-ethylidene-N-methyl-7-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine (CID 145474100) is ethane;(6E,7Z)-6-ethylidene-N-methyl-7-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine.
What is the SMILES notation for ethane;(6E,7Z)-6-ethylidene-N-methyl-7-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine?
The canonical SMILES for ethane;(6E,7Z)-6-ethylidene-N-methyl-7-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine is C=C/C=C1C(=C/C)\OC2(CCC2)CC\1NC.CC.
What is the InChIKey of ethane;(6E,7Z)-6-ethylidene-N-methyl-7-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine?
The InChIKey is QUVDPFRZEWSYFA-HBDNQKBOSA-N. The full InChI is InChI=1S/C14H21NO.C2H6/c1-4-7-11-12(15-3)10-14(8-6-9-14)16-13(11)5-2;1-2/h4-5,7,12,15H,1,6,8-10H2,2-3H3;1-2H3/b11-7-,13-5+;.
What are the key properties of ethane;(6E,7Z)-6-ethylidene-N-methyl-7-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine?
ethane;(6E,7Z)-6-ethylidene-N-methyl-7-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine has a molecular weight of 249.40 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(6E,7Z)-6-ethylidene-N-methyl-7-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine is sourced from PubChem (CID 145474100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).