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

C14H21NO — CID 145474101

IUPAC(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
InChIInChI=1S/C14H21NO/c1-4-7-11-12(15-3)10-14(8-6-9-14)16-13(11)5-2/h4-5,7,12,15H,1,6,8-10H2,2-3H3/b11-7-,13-5+
InChIKeyJIDGYJHEDOHGMT-HFUHPEDPSA-N
MW219.33 g/mol
LogP2.93
Rot. Bonds2

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

(6E,7Z)-6-ethylidene-N-methyl-7-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine (PubChem CID 145474101) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (6E,7Z)-6-ethylidene-N-methyl-7-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine.

Molecular Properties

Compound Name(6E,7Z)-6-ethylidene-N-methyl-7-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine
PubChem CID145474101
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(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
InChIInChI=1S/C14H21NO/c1-4-7-11-12(15-3)10-14(8-6-9-14)16-13(11)5-2/h4-5,7,12,15H,1,6,8-10H2,2-3H3/b11-7-,13-5+
InChIKeyJIDGYJHEDOHGMT-HFUHPEDPSA-N
XLogP2.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.93
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)-6,7-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)-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-ethylidene-N-methyl-7-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine?
The IUPAC name of (6E,7Z)-6-ethylidene-N-methyl-7-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine (CID 145474101) is (6E,7Z)-6-ethylidene-N-methyl-7-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine.
What is the SMILES notation for (6E,7Z)-6-ethylidene-N-methyl-7-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine?
The canonical SMILES for (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.
What is the InChIKey of (6E,7Z)-6-ethylidene-N-methyl-7-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine?
The InChIKey is JIDGYJHEDOHGMT-HFUHPEDPSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-7-11-12(15-3)10-14(8-6-9-14)16-13(11)5-2/h4-5,7,12,15H,1,6,8-10H2,2-3H3/b11-7-,13-5+.
What are the key properties of (6E,7Z)-6-ethylidene-N-methyl-7-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine?
(6E,7Z)-6-ethylidene-N-methyl-7-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine has a molecular weight of 219.33 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,7Z)-6-ethylidene-N-methyl-7-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine is sourced from PubChem (CID 145474101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).