ethane;(3Z)-N-ethyl-5-methoxy-N-methylhexa-1,3,5-trien-2-amine

C12H23NO — CID 143503844

IUPACethane;(3Z)-N-ethyl-5-methoxy-N-methylhexa-1,3,5-trien-2-amine
SMILESC=C(/C=C\C(=C)N(C)CC)OC.CC
InChIInChI=1S/C10H17NO.C2H6/c1-6-11(4)9(2)7-8-10(3)12-5;1-2/h7-8H,2-3,6H2,1,4-5H3;1-2H3/b8-7-;
InChIKeyKFFKXCITCFQWBX-CFYXSCKTSA-N
MW197.32 g/mol
LogP3.19
Rot. Bonds5

About ethane;(3Z)-N-ethyl-5-methoxy-N-methylhexa-1,3,5-trien-2-amine

ethane;(3Z)-N-ethyl-5-methoxy-N-methylhexa-1,3,5-trien-2-amine (PubChem CID 143503844) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is ethane;(3Z)-N-ethyl-5-methoxy-N-methylhexa-1,3,5-trien-2-amine.

Molecular Properties

Compound Nameethane;(3Z)-N-ethyl-5-methoxy-N-methylhexa-1,3,5-trien-2-amine
PubChem CID143503844
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Nameethane;(3Z)-N-ethyl-5-methoxy-N-methylhexa-1,3,5-trien-2-amine
SMILESC=C(/C=C\C(=C)N(C)CC)OC.CC
InChIInChI=1S/C10H17NO.C2H6/c1-6-11(4)9(2)7-8-10(3)12-5;1-2/h7-8H,2-3,6H2,1,4-5H3;1-2H3/b8-7-;
InChIKeyKFFKXCITCFQWBX-CFYXSCKTSA-N
XLogP3.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 53.19
H-Bond Donors ≤ 50
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

(3E)-N-(3-fluoropropyl)-5-methoxy-N-propylhexa-1,3,5-trien-3-amine
CID 155717956
(3Z)-N-ethyl-N-fluoro-5-methoxyhexa-1,3,5-trien-2-amine
CID 144626552
(3Z)-3-fluoro-4-methoxy-N-methyl-N-propylhexa-1,3,5-trien-2-amine
CID 171492435
carbanide;iridium;1-(3-methoxybenzene-6-id-1-yl)-2H-pyridine
CID 57622431
carbanide;1-(3-methoxybenzene-6-id-1-yl)-2H-pyridine;rhodium(2+)
CID 57622453
3-ethyl-2-[3-(3-ethyl-4-methyl-2H-1,3-oxazol-2-yl)prop-2-enylidene]-4-methyl-1,3-oxazole
CID 59086721
5,6-dimethoxy-1-propyl-2H-pyridine
CID 70580547
(3E,5Z)-7-methoxy-N,N-dimethylhepta-1,3,5-trien-4-amine
CID 89360210
(2E)-N-ethenyl-4-methoxy-N-methylpenta-2,4-dien-2-amine
CID 126583845
4-Methoxy-1-methyl-2-methylidenepyridine
CID 132022901
(2E,4E)-4-methoxy-N,N-dimethylhexa-2,4-dien-2-amine
CID 138633495
(3Z,5E)-5-methoxy-N,N-dimethylocta-1,3,5-trien-2-amine
CID 138633519

Frequently Asked Questions

What is the IUPAC name of ethane;(3Z)-N-ethyl-5-methoxy-N-methylhexa-1,3,5-trien-2-amine?
The IUPAC name of ethane;(3Z)-N-ethyl-5-methoxy-N-methylhexa-1,3,5-trien-2-amine (CID 143503844) is ethane;(3Z)-N-ethyl-5-methoxy-N-methylhexa-1,3,5-trien-2-amine.
What is the SMILES notation for ethane;(3Z)-N-ethyl-5-methoxy-N-methylhexa-1,3,5-trien-2-amine?
The canonical SMILES for ethane;(3Z)-N-ethyl-5-methoxy-N-methylhexa-1,3,5-trien-2-amine is C=C(/C=C\C(=C)N(C)CC)OC.CC.
What is the InChIKey of ethane;(3Z)-N-ethyl-5-methoxy-N-methylhexa-1,3,5-trien-2-amine?
The InChIKey is KFFKXCITCFQWBX-CFYXSCKTSA-N. The full InChI is InChI=1S/C10H17NO.C2H6/c1-6-11(4)9(2)7-8-10(3)12-5;1-2/h7-8H,2-3,6H2,1,4-5H3;1-2H3/b8-7-;.
What are the key properties of ethane;(3Z)-N-ethyl-5-methoxy-N-methylhexa-1,3,5-trien-2-amine?
ethane;(3Z)-N-ethyl-5-methoxy-N-methylhexa-1,3,5-trien-2-amine has a molecular weight of 197.32 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z)-N-ethyl-5-methoxy-N-methylhexa-1,3,5-trien-2-amine is sourced from PubChem (CID 143503844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).