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

C10H17NO — CID 143929064

IUPAC(3Z)-7-(methylamino)-5-methylideneocta-1,3-dien-2-ol
SMILESC=C(O)/C=C\C(=C)CC(C)NC
InChIInChI=1S/C10H17NO/c1-8(5-6-10(3)12)7-9(2)11-4/h5-6,9,11-12H,1,3,7H2,2,4H3/b6-5-
InChIKeyMMOWJQPNTUHCBS-WAYWQWQTSA-N
MW167.25 g/mol
LogP2.17
Rot. Bonds5

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

(3Z)-7-(methylamino)-5-methylideneocta-1,3-dien-2-ol (PubChem CID 143929064) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (3Z)-7-(methylamino)-5-methylideneocta-1,3-dien-2-ol.

Molecular Properties

Compound Name(3Z)-7-(methylamino)-5-methylideneocta-1,3-dien-2-ol
PubChem CID143929064
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(3Z)-7-(methylamino)-5-methylideneocta-1,3-dien-2-ol
SMILESC=C(O)/C=C\C(=C)CC(C)NC
InChIInChI=1S/C10H17NO/c1-8(5-6-10(3)12)7-9(2)11-4/h5-6,9,11-12H,1,3,7H2,2,4H3/b6-5-
InChIKeyMMOWJQPNTUHCBS-WAYWQWQTSA-N
XLogP2.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.17
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'}

Analyze (3Z)-7-(methylamino)-5-methylideneocta-1,3-dien-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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 (3Z)-7-(methylamino)-5-methylideneocta-1,3-dien-2-ol?
The IUPAC name of (3Z)-7-(methylamino)-5-methylideneocta-1,3-dien-2-ol (CID 143929064) is (3Z)-7-(methylamino)-5-methylideneocta-1,3-dien-2-ol.
What is the SMILES notation for (3Z)-7-(methylamino)-5-methylideneocta-1,3-dien-2-ol?
The canonical SMILES for (3Z)-7-(methylamino)-5-methylideneocta-1,3-dien-2-ol is C=C(O)/C=C\C(=C)CC(C)NC.
What is the InChIKey of (3Z)-7-(methylamino)-5-methylideneocta-1,3-dien-2-ol?
The InChIKey is MMOWJQPNTUHCBS-WAYWQWQTSA-N. The full InChI is InChI=1S/C10H17NO/c1-8(5-6-10(3)12)7-9(2)11-4/h5-6,9,11-12H,1,3,7H2,2,4H3/b6-5-.
What are the key properties of (3Z)-7-(methylamino)-5-methylideneocta-1,3-dien-2-ol?
(3Z)-7-(methylamino)-5-methylideneocta-1,3-dien-2-ol has a molecular weight of 167.25 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-7-(methylamino)-5-methylideneocta-1,3-dien-2-ol is sourced from PubChem (CID 143929064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).