5-[[(2E,4Z,6E)-8-(dimethylamino)-6,7-dimethylocta-2,4,6-trien-3-yl]-propylamino]pentan-1-ol

C20H38N2O — CID 143307643

IUPAC5-[[(2E,4Z,6E)-8-(dimethylamino)-6,7-dimethylocta-2,4,6-trien-3-yl]-propylamino]pentan-1-ol
SMILESC/C=C(\C=C/C(C)=C(\C)CN(C)C)N(CCC)CCCCCO
InChIInChI=1S/C20H38N2O/c1-7-14-22(15-10-9-11-16-23)20(8-2)13-12-18(3)19(4)17-21(5)6/h8,12-13,23H,7,9-11,14-17H2,1-6H3/b13-12-,19-18+,20-8+
InChIKeyFFOPISKVQBCUCX-FLQVMVJFSA-N
MW322.54 g/mol
LogP4.22
Rot. Bonds12

About 5-[[(2E,4Z,6E)-8-(dimethylamino)-6,7-dimethylocta-2,4,6-trien-3-yl]-propylamino]pentan-1-ol

5-[[(2E,4Z,6E)-8-(dimethylamino)-6,7-dimethylocta-2,4,6-trien-3-yl]-propylamino]pentan-1-ol (PubChem CID 143307643) has the molecular formula C20H38N2O and a molecular weight of 322.54 g/mol. Its IUPAC name is 5-[[(2E,4Z,6E)-8-(dimethylamino)-6,7-dimethylocta-2,4,6-trien-3-yl]-propylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[[(2E,4Z,6E)-8-(dimethylamino)-6,7-dimethylocta-2,4,6-trien-3-yl]-propylamino]pentan-1-ol
PubChem CID143307643
Molecular FormulaC20H38N2O
Molecular Weight322.54 g/mol
Exact Mass322.30
IUPAC Name5-[[(2E,4Z,6E)-8-(dimethylamino)-6,7-dimethylocta-2,4,6-trien-3-yl]-propylamino]pentan-1-ol
SMILESC/C=C(\C=C/C(C)=C(\C)CN(C)C)N(CCC)CCCCCO
InChIInChI=1S/C20H38N2O/c1-7-14-22(15-10-9-11-16-23)20(8-2)13-12-18(3)19(4)17-21(5)6/h8,12-13,23H,7,9-11,14-17H2,1-6H3/b13-12-,19-18+,20-8+
InChIKeyFFOPISKVQBCUCX-FLQVMVJFSA-N
XLogP4.22
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.54
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[[(2E,4Z,6E)-8-(dimethylamino)-6,7-dimethylocta-2,4,6-trien-3-yl]-propylamino]pentan-1-ol with MolForge

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Related Compounds

2-[1-(6-Methylhepta-1,3,4,6-tetraen-3-yl)-2,3,6,7-tetrahydroazepin-4-yl]ethanol
CID 91138051
(2S)-1-ethyl-5,6-dimethylidene-4-[(3Z)-penta-1,3-dien-2-yl]-3-propyl-2H-pyridin-2-ol
CID 118311785
5,6-Di(ethylidene)-1-methylpiperidin-2-ol
CID 123615765
ethane;(3E)-3-ethenyl-N-hex-5-enyl-N,4-dimethylhexa-1,3-dien-2-amine;methanol
CID 141833954
5-[bis[(2E)-3,7-dimethylocta-2,6-dienyl]amino]pentan-1-ol
CID 145797530
6-[[(3Z)-hexa-1,3-dien-2-yl]-[(Z)-pent-3-en-2-yl]amino]hexan-1-ol
CID 146671958
3-(1-pentyl-2H-pyridin-3-yl)propan-1-ol
CID 149737669
5-[Bis(cyclopenta-1,2,4-trien-1-ylmethyl)amino]pentan-1-ol
CID 177390448

Frequently Asked Questions

What is the IUPAC name of 5-[[(2E,4Z,6E)-8-(dimethylamino)-6,7-dimethylocta-2,4,6-trien-3-yl]-propylamino]pentan-1-ol?
The IUPAC name of 5-[[(2E,4Z,6E)-8-(dimethylamino)-6,7-dimethylocta-2,4,6-trien-3-yl]-propylamino]pentan-1-ol (CID 143307643) is 5-[[(2E,4Z,6E)-8-(dimethylamino)-6,7-dimethylocta-2,4,6-trien-3-yl]-propylamino]pentan-1-ol.
What is the SMILES notation for 5-[[(2E,4Z,6E)-8-(dimethylamino)-6,7-dimethylocta-2,4,6-trien-3-yl]-propylamino]pentan-1-ol?
The canonical SMILES for 5-[[(2E,4Z,6E)-8-(dimethylamino)-6,7-dimethylocta-2,4,6-trien-3-yl]-propylamino]pentan-1-ol is C/C=C(\C=C/C(C)=C(\C)CN(C)C)N(CCC)CCCCCO.
What is the InChIKey of 5-[[(2E,4Z,6E)-8-(dimethylamino)-6,7-dimethylocta-2,4,6-trien-3-yl]-propylamino]pentan-1-ol?
The InChIKey is FFOPISKVQBCUCX-FLQVMVJFSA-N. The full InChI is InChI=1S/C20H38N2O/c1-7-14-22(15-10-9-11-16-23)20(8-2)13-12-18(3)19(4)17-21(5)6/h8,12-13,23H,7,9-11,14-17H2,1-6H3/b13-12-,19-18+,20-8+.
What are the key properties of 5-[[(2E,4Z,6E)-8-(dimethylamino)-6,7-dimethylocta-2,4,6-trien-3-yl]-propylamino]pentan-1-ol?
5-[[(2E,4Z,6E)-8-(dimethylamino)-6,7-dimethylocta-2,4,6-trien-3-yl]-propylamino]pentan-1-ol has a molecular weight of 322.54 g/mol, XLogP of 4.22, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2E,4Z,6E)-8-(dimethylamino)-6,7-dimethylocta-2,4,6-trien-3-yl]-propylamino]pentan-1-ol is sourced from PubChem (CID 143307643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).