ethane;(2E,4E,6Z)-3-methoxy-6-methylocta-2,4,6-trien-4-amine

C12H23NO — CID 143256813

IUPACethane;(2E,4E,6Z)-3-methoxy-6-methylocta-2,4,6-trien-4-amine
SMILESC/C=C(C)\C=C(N)/C(=C\C)OC.CC
InChIInChI=1S/C10H17NO.C2H6/c1-5-8(3)7-9(11)10(6-2)12-4;1-2/h5-7H,11H2,1-4H3;1-2H3/b8-5-,9-7+,10-6+;
InChIKeyLMJHRYRPINRGOC-HBJHITRFSA-N
MW197.32 g/mol
LogP3.37
Rot. Bonds3

About ethane;(2E,4E,6Z)-3-methoxy-6-methylocta-2,4,6-trien-4-amine

ethane;(2E,4E,6Z)-3-methoxy-6-methylocta-2,4,6-trien-4-amine (PubChem CID 143256813) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is ethane;(2E,4E,6Z)-3-methoxy-6-methylocta-2,4,6-trien-4-amine.

Molecular Properties

Compound Nameethane;(2E,4E,6Z)-3-methoxy-6-methylocta-2,4,6-trien-4-amine
PubChem CID143256813
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Nameethane;(2E,4E,6Z)-3-methoxy-6-methylocta-2,4,6-trien-4-amine
SMILESC/C=C(C)\C=C(N)/C(=C\C)OC.CC
InChIInChI=1S/C10H17NO.C2H6/c1-5-8(3)7-9(11)10(6-2)12-4;1-2/h5-7H,11H2,1-4H3;1-2H3/b8-5-,9-7+,10-6+;
InChIKeyLMJHRYRPINRGOC-HBJHITRFSA-N
XLogP3.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3Z)-3-ethylidene-5-fluoro-6-methoxy-4-methylidenecyclohexa-1,5-dien-1-amine
CID 177202516
(4E)-4-(2,2-difluoroethoxy)-2,6-dimethylhepta-2,4,6-trien-3-amine
CID 156872451
6-Methoxycyclohexa-1,5-dien-1-amine
CID 20027163
4-Methoxy-2,6-dimethylbenzene-5-id-1-amine;yttrium
CID 60083203
5-methyl-2H-pyran-3-amine
CID 70386428
(3E)-2-propan-2-yloxyhexa-1,3-dien-3-amine
CID 88945607
(1Z,3E)-4-methoxy-2-methylhexa-1,3,5-triene-1,5-diamine
CID 89204076
(3E,5Z,7E)-5-methoxy-6,7-dimethylnona-3,5,7-trien-3-amine
CID 89240453
(3E,5Z)-3,7-dimethoxy-5-methylhepta-1,3,5-trien-2-amine
CID 90137721
5-methyl-2H-pyran-4-amine
CID 117900896
6-propan-2-yl-2H-pyran-3-amine
CID 118680547
(2E,4Z,6Z)-5-ethoxy-4-[(E)-prop-1-enyl]octa-2,4,6-trien-2-amine
CID 126711921

Frequently Asked Questions

What is the IUPAC name of ethane;(2E,4E,6Z)-3-methoxy-6-methylocta-2,4,6-trien-4-amine?
The IUPAC name of ethane;(2E,4E,6Z)-3-methoxy-6-methylocta-2,4,6-trien-4-amine (CID 143256813) is ethane;(2E,4E,6Z)-3-methoxy-6-methylocta-2,4,6-trien-4-amine.
What is the SMILES notation for ethane;(2E,4E,6Z)-3-methoxy-6-methylocta-2,4,6-trien-4-amine?
The canonical SMILES for ethane;(2E,4E,6Z)-3-methoxy-6-methylocta-2,4,6-trien-4-amine is C/C=C(C)\C=C(N)/C(=C\C)OC.CC.
What is the InChIKey of ethane;(2E,4E,6Z)-3-methoxy-6-methylocta-2,4,6-trien-4-amine?
The InChIKey is LMJHRYRPINRGOC-HBJHITRFSA-N. The full InChI is InChI=1S/C10H17NO.C2H6/c1-5-8(3)7-9(11)10(6-2)12-4;1-2/h5-7H,11H2,1-4H3;1-2H3/b8-5-,9-7+,10-6+;.
What are the key properties of ethane;(2E,4E,6Z)-3-methoxy-6-methylocta-2,4,6-trien-4-amine?
ethane;(2E,4E,6Z)-3-methoxy-6-methylocta-2,4,6-trien-4-amine has a molecular weight of 197.32 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E,4E,6Z)-3-methoxy-6-methylocta-2,4,6-trien-4-amine is sourced from PubChem (CID 143256813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).