ethane;(3Z)-7-(methylamino)-5-methylideneocta-1,3-dien-2-ol

C12H23NO — CID 143929063

IUPACethane;(3Z)-7-(methylamino)-5-methylideneocta-1,3-dien-2-ol
SMILESC=C(O)/C=C\C(=C)CC(C)NC.CC
InChIInChI=1S/C10H17NO.C2H6/c1-8(5-6-10(3)12)7-9(2)11-4;1-2/h5-6,9,11-12H,1,3,7H2,2,4H3;1-2H3/b6-5-;
InChIKeyDTXXETQTSYZXRI-YSMBQZINSA-N
MW197.32 g/mol
LogP3.19
Rot. Bonds5

About ethane;(3Z)-7-(methylamino)-5-methylideneocta-1,3-dien-2-ol

ethane;(3Z)-7-(methylamino)-5-methylideneocta-1,3-dien-2-ol (PubChem CID 143929063) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is ethane;(3Z)-7-(methylamino)-5-methylideneocta-1,3-dien-2-ol.

Molecular Properties

Compound Nameethane;(3Z)-7-(methylamino)-5-methylideneocta-1,3-dien-2-ol
PubChem CID143929063
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Nameethane;(3Z)-7-(methylamino)-5-methylideneocta-1,3-dien-2-ol
SMILESC=C(O)/C=C\C(=C)CC(C)NC.CC
InChIInChI=1S/C10H17NO.C2H6/c1-8(5-6-10(3)12)7-9(2)11-4;1-2/h5-6,9,11-12H,1,3,7H2,2,4H3;1-2H3/b6-5-;
InChIKeyDTXXETQTSYZXRI-YSMBQZINSA-N
XLogP3.19
TPSA32.26 Ų
H-Bond Donors2
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 ≤ 52
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

4-Methyl-alpha-ethyl-methyl-tyramine
CID 129705387
(3Z,5Z)-5-[2-(fluoromethylamino)ethyl]hepta-1,3,5-trien-2-ol
CID 143933261
1-Cyclohexa-1,5-dien-1-yl-2-(methylamino)propan-1-ol
CID 53704283
2-Methyl-6-(methylamino)hept-2-en-1-ol
CID 54551357
(2E,4Z)-3-[1-(propan-2-ylamino)propan-2-yl]hepta-2,4-diene-1,6-diol
CID 89246284
(E)-2-methyl-6-(methylamino)hept-2-en-1-ol
CID 90284730
(Z)-2-methyl-6-(methylamino)hept-2-en-1-ol
CID 90285030
(2E,4E,6Z)-1-(propan-2-ylamino)-5-prop-1-en-2-ylnona-2,4,6,8-tetraen-4-ol
CID 126583250
(2Z,4E)-2-ethenyl-5-methyl-7-(methylamino)octa-2,4-diene-1,3-diol
CID 126729746
(2Z,4Z)-6-methyl-5-[2-(methylamino)ethyl]hepta-2,4,6-triene-2,3-diol
CID 126729831
(2R,3R,4E)-4-ethenyl-2-(methylamino)hepta-4,6-dien-3-ol
CID 129238834
(3Z,5Z)-5-[2-(methylamino)ethyl]octa-1,3,5-trien-2-ol
CID 130243944

Frequently Asked Questions

What is the IUPAC name of ethane;(3Z)-7-(methylamino)-5-methylideneocta-1,3-dien-2-ol?
The IUPAC name of ethane;(3Z)-7-(methylamino)-5-methylideneocta-1,3-dien-2-ol (CID 143929063) is ethane;(3Z)-7-(methylamino)-5-methylideneocta-1,3-dien-2-ol.
What is the SMILES notation for ethane;(3Z)-7-(methylamino)-5-methylideneocta-1,3-dien-2-ol?
The canonical SMILES for ethane;(3Z)-7-(methylamino)-5-methylideneocta-1,3-dien-2-ol is C=C(O)/C=C\C(=C)CC(C)NC.CC.
What is the InChIKey of ethane;(3Z)-7-(methylamino)-5-methylideneocta-1,3-dien-2-ol?
The InChIKey is DTXXETQTSYZXRI-YSMBQZINSA-N. The full InChI is InChI=1S/C10H17NO.C2H6/c1-8(5-6-10(3)12)7-9(2)11-4;1-2/h5-6,9,11-12H,1,3,7H2,2,4H3;1-2H3/b6-5-;.
What are the key properties of ethane;(3Z)-7-(methylamino)-5-methylideneocta-1,3-dien-2-ol?
ethane;(3Z)-7-(methylamino)-5-methylideneocta-1,3-dien-2-ol has a molecular weight of 197.32 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z)-7-(methylamino)-5-methylideneocta-1,3-dien-2-ol is sourced from PubChem (CID 143929063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).