(4E,6E)-8-(propylamino)octa-4,6-dien-4-ol

C11H21NO — CID 143595513

IUPAC(4E,6E)-8-(propylamino)octa-4,6-dien-4-ol
SMILESCCCNC/C=C/C=C(/O)CCC
InChIInChI=1S/C11H21NO/c1-3-7-11(13)8-5-6-10-12-9-4-2/h5-6,8,12-13H,3-4,7,9-10H2,1-2H3/b6-5+,11-8+
InChIKeyQHDPHAGJBVVGKT-BXROQLSZSA-N
MW183.30 g/mol
LogP2.78
Rot. Bonds7

About (4E,6E)-8-(propylamino)octa-4,6-dien-4-ol

(4E,6E)-8-(propylamino)octa-4,6-dien-4-ol (PubChem CID 143595513) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is (4E,6E)-8-(propylamino)octa-4,6-dien-4-ol.

Molecular Properties

Compound Name(4E,6E)-8-(propylamino)octa-4,6-dien-4-ol
PubChem CID143595513
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Name(4E,6E)-8-(propylamino)octa-4,6-dien-4-ol
SMILESCCCNC/C=C/C=C(/O)CCC
InChIInChI=1S/C11H21NO/c1-3-7-11(13)8-5-6-10-12-9-4-2/h5-6,8,12-13H,3-4,7,9-10H2,1-2H3/b6-5+,11-8+
InChIKeyQHDPHAGJBVVGKT-BXROQLSZSA-N
XLogP2.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(Ethylamino)-2-fluorocyclohexa-1,3-dien-1-ol
CID 176155774
6-(Ethylamino)-6-methylcyclohexa-1,3-dien-1-ol
CID 139892088
N-methylbut-3-en-1-amine;(2E)-penta-2,4-dien-2-ol
CID 141770128
acetylene;3-[[[(E)-but-2-enyl]amino]methyl]cyclohexa-1,3-dien-1-ol
CID 141801496
ethane;(4Z,6E)-3-(2-hydroxyethylamino)octa-4,6-dien-4-ol
CID 142957686
3-(Methylaminomethyl)cyclohexa-1,3-dien-1-ol
CID 143349340
(E)-8-(ethylamino)oct-4-en-4-ol
CID 144110825
(E)-1-(4-ethenyl-1,2,3,6-tetrahydropyridin-5-yl)prop-1-en-2-ol
CID 146178200
2-(Propylamino)cyclopenta-1,3-dien-1-ol
CID 152603763
(E)-5-(methylamino)hept-3-en-3-ol
CID 166892771
Ethane;3-(propan-2-ylamino)cyclohexa-1,3-dien-1-ol
CID 168199391
6-(Methylamino)cyclohexa-1,3-dien-1-ol
CID 176155781

Frequently Asked Questions

What is the IUPAC name of (4E,6E)-8-(propylamino)octa-4,6-dien-4-ol?
The IUPAC name of (4E,6E)-8-(propylamino)octa-4,6-dien-4-ol (CID 143595513) is (4E,6E)-8-(propylamino)octa-4,6-dien-4-ol.
What is the SMILES notation for (4E,6E)-8-(propylamino)octa-4,6-dien-4-ol?
The canonical SMILES for (4E,6E)-8-(propylamino)octa-4,6-dien-4-ol is CCCNC/C=C/C=C(/O)CCC.
What is the InChIKey of (4E,6E)-8-(propylamino)octa-4,6-dien-4-ol?
The InChIKey is QHDPHAGJBVVGKT-BXROQLSZSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-7-11(13)8-5-6-10-12-9-4-2/h5-6,8,12-13H,3-4,7,9-10H2,1-2H3/b6-5+,11-8+.
What are the key properties of (4E,6E)-8-(propylamino)octa-4,6-dien-4-ol?
(4E,6E)-8-(propylamino)octa-4,6-dien-4-ol has a molecular weight of 183.30 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6E)-8-(propylamino)octa-4,6-dien-4-ol is sourced from PubChem (CID 143595513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).