(3E,5E)-7-(hexylamino)-6-methylocta-1,3,5-trien-4-ol

C15H27NO — CID 143074594

IUPAC(3E,5E)-7-(hexylamino)-6-methylocta-1,3,5-trien-4-ol
SMILESC=C/C=C(O)\C=C(/C)C(C)NCCCCCC
InChIInChI=1S/C15H27NO/c1-5-7-8-9-11-16-14(4)13(3)12-15(17)10-6-2/h6,10,12,14,16-17H,2,5,7-9,11H2,1,3-4H3/b13-12+,15-10+
InChIKeyFEWCHIJBJOFTRI-BKTKXEPCSA-N
MW237.39 g/mol
LogP4.12
Rot. Bonds9

About (3E,5E)-7-(hexylamino)-6-methylocta-1,3,5-trien-4-ol

(3E,5E)-7-(hexylamino)-6-methylocta-1,3,5-trien-4-ol (PubChem CID 143074594) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is (3E,5E)-7-(hexylamino)-6-methylocta-1,3,5-trien-4-ol.

Molecular Properties

Compound Name(3E,5E)-7-(hexylamino)-6-methylocta-1,3,5-trien-4-ol
PubChem CID143074594
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name(3E,5E)-7-(hexylamino)-6-methylocta-1,3,5-trien-4-ol
SMILESC=C/C=C(O)\C=C(/C)C(C)NCCCCCC
InChIInChI=1S/C15H27NO/c1-5-7-8-9-11-16-14(4)13(3)12-15(17)10-6-2/h6,10,12,14,16-17H,2,5,7-9,11H2,1,3-4H3/b13-12+,15-10+
InChIKeyFEWCHIJBJOFTRI-BKTKXEPCSA-N
XLogP4.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 54.12
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'}

Analyze (3E,5E)-7-(hexylamino)-6-methylocta-1,3,5-trien-4-ol with MolForge

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Related Compounds

5-[2-[(2-Fluoro-2-methylpropyl)amino]propyl]-6-methylcyclohexa-1,5-dien-1-ol
CID 134447282
1,2,3,4,4a,5,6,6a-Octahydrophenanthridin-9-ol
CID 70538927
5-[[2-[(1E,3Z)-2-hydroxypenta-1,3-dienyl]cyclobutyl]amino]-2-methylcyclohepta-1,3,6-trien-1-ol
CID 89298764
2-Propan-2-yl-1,7,8,8a-tetrahydroquinolin-3-ol
CID 122544436
(2E,4E,6Z)-1-(propan-2-ylamino)-5-prop-1-en-2-ylnona-2,4,6,8-tetraen-4-ol
CID 126583250
(2Z,4Z)-6-methyl-5-[2-(methylamino)ethyl]hepta-2,4,6-triene-2,3-diol
CID 126729831
5-Methyl-4-[2-(propylamino)ethylamino]cyclohexa-1,5-dien-1-ol
CID 131995634
(2E,4E,6E)-2-methyl-1-(methylamino)nona-2,4,6-trien-4-ol
CID 132044721
(3E,5Z)-9-amino-4,10-dimethylundeca-1,3,5,10-tetraen-3-ol
CID 138564351
(2E,4Z)-4-[(2-aminopropylamino)methyl]hepta-2,4,6-trien-3-ol
CID 138698311
2-Butyl-3-(hydroxymethylamino)cyclohexa-1,5-dien-1-ol
CID 142193874
ethane;N-propylcyclobutanamine;6-propylcyclohepta-1,4,6-trien-1-ol
CID 142364941

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-7-(hexylamino)-6-methylocta-1,3,5-trien-4-ol?
The IUPAC name of (3E,5E)-7-(hexylamino)-6-methylocta-1,3,5-trien-4-ol (CID 143074594) is (3E,5E)-7-(hexylamino)-6-methylocta-1,3,5-trien-4-ol.
What is the SMILES notation for (3E,5E)-7-(hexylamino)-6-methylocta-1,3,5-trien-4-ol?
The canonical SMILES for (3E,5E)-7-(hexylamino)-6-methylocta-1,3,5-trien-4-ol is C=C/C=C(O)\C=C(/C)C(C)NCCCCCC.
What is the InChIKey of (3E,5E)-7-(hexylamino)-6-methylocta-1,3,5-trien-4-ol?
The InChIKey is FEWCHIJBJOFTRI-BKTKXEPCSA-N. The full InChI is InChI=1S/C15H27NO/c1-5-7-8-9-11-16-14(4)13(3)12-15(17)10-6-2/h6,10,12,14,16-17H,2,5,7-9,11H2,1,3-4H3/b13-12+,15-10+.
What are the key properties of (3E,5E)-7-(hexylamino)-6-methylocta-1,3,5-trien-4-ol?
(3E,5E)-7-(hexylamino)-6-methylocta-1,3,5-trien-4-ol has a molecular weight of 237.39 g/mol, XLogP of 4.12, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-7-(hexylamino)-6-methylocta-1,3,5-trien-4-ol is sourced from PubChem (CID 143074594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).