(4Z,5Z)-2-amino-4-prop-2-enylideneocta-5,7-dien-1-ol;ethane

C13H23NO — CID 155738566

IUPAC(4Z,5Z)-2-amino-4-prop-2-enylideneocta-5,7-dien-1-ol;ethane
SMILESC=C/C=C\C(=C/C=C)CC(N)CO.CC
InChIInChI=1S/C11H17NO.C2H6/c1-3-5-7-10(6-4-2)8-11(12)9-13;1-2/h3-7,11,13H,1-2,8-9,12H2;1-2H3/b7-5-,10-6+;
InChIKeyRFWPZROGRYQWEN-RQLYHSFASA-N
MW209.33 g/mol
LogP2.58
Rot. Bonds6

About (4Z,5Z)-2-amino-4-prop-2-enylideneocta-5,7-dien-1-ol;ethane

(4Z,5Z)-2-amino-4-prop-2-enylideneocta-5,7-dien-1-ol;ethane (PubChem CID 155738566) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (4Z,5Z)-2-amino-4-prop-2-enylideneocta-5,7-dien-1-ol;ethane.

Molecular Properties

Compound Name(4Z,5Z)-2-amino-4-prop-2-enylideneocta-5,7-dien-1-ol;ethane
PubChem CID155738566
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(4Z,5Z)-2-amino-4-prop-2-enylideneocta-5,7-dien-1-ol;ethane
SMILESC=C/C=C\C(=C/C=C)CC(N)CO.CC
InChIInChI=1S/C11H17NO.C2H6/c1-3-5-7-10(6-4-2)8-11(12)9-13;1-2/h3-7,11,13H,1-2,8-9,12H2;1-2H3/b7-5-,10-6+;
InChIKeyRFWPZROGRYQWEN-RQLYHSFASA-N
XLogP2.58
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (4Z,5Z)-2-amino-4-prop-2-enylideneocta-5,7-dien-1-ol;ethane with MolForge

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Related Compounds

(2S,3S,5E,7E)-2-aminotetradeca-5,7,13-trien-3-ol
CID 71770472
(2R,3S,5E,9Z,12Z,15Z)-2-aminooctadeca-5,9,12,15,17-pentaen-3-ol
CID 23427563
Crucigasterin 275
CID 134715062
6-Octen-1-ol, 3-amino-7-methyl-, (3S)-
CID 10986507
(3S,5Z,7E)-3-amino-7-fluoro-4-methylidenenona-5,7-dien-1-ol
CID 135229493
(Z)-6-amino-4-ethenyl-3-(1-fluoroethenyl)hept-3-en-1-ol
CID 142279463
(4E,6E)-2-amino-4-ethenyl-7-fluoro-3-methylocta-4,6-dien-1-ol
CID 142806656
(3E,5E)-2-amino-6-(2-fluoropropan-2-yl)-3-methylocta-3,5,7-trien-1-ol
CID 145012073
2-Amino-3-(6-fluorocyclohexa-1,5-dien-1-yl)propan-1-ol
CID 145561468
(4Z)-3-amino-4-ethenyl-5-fluoro-6-methylhepta-4,6-dien-1-ol
CID 142547574
(4Z,6E,9S)-9-amino-10-fluoro-7-methyl-4-[(Z)-prop-1-enyl]deca-4,6-diene-1,2-diol
CID 143418544
4-Aminooct-6-en-3-ol
CID 53806244

Frequently Asked Questions

What is the IUPAC name of (4Z,5Z)-2-amino-4-prop-2-enylideneocta-5,7-dien-1-ol;ethane?
The IUPAC name of (4Z,5Z)-2-amino-4-prop-2-enylideneocta-5,7-dien-1-ol;ethane (CID 155738566) is (4Z,5Z)-2-amino-4-prop-2-enylideneocta-5,7-dien-1-ol;ethane.
What is the SMILES notation for (4Z,5Z)-2-amino-4-prop-2-enylideneocta-5,7-dien-1-ol;ethane?
The canonical SMILES for (4Z,5Z)-2-amino-4-prop-2-enylideneocta-5,7-dien-1-ol;ethane is C=C/C=C\C(=C/C=C)CC(N)CO.CC.
What is the InChIKey of (4Z,5Z)-2-amino-4-prop-2-enylideneocta-5,7-dien-1-ol;ethane?
The InChIKey is RFWPZROGRYQWEN-RQLYHSFASA-N. The full InChI is InChI=1S/C11H17NO.C2H6/c1-3-5-7-10(6-4-2)8-11(12)9-13;1-2/h3-7,11,13H,1-2,8-9,12H2;1-2H3/b7-5-,10-6+;.
What are the key properties of (4Z,5Z)-2-amino-4-prop-2-enylideneocta-5,7-dien-1-ol;ethane?
(4Z,5Z)-2-amino-4-prop-2-enylideneocta-5,7-dien-1-ol;ethane has a molecular weight of 209.33 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,5Z)-2-amino-4-prop-2-enylideneocta-5,7-dien-1-ol;ethane is sourced from PubChem (CID 155738566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).