N-[[(2E,4E)-hexa-2,4-dienyl]-prop-2-enylphosphoryl]-N-propan-2-ylpropan-2-amine

C15H28NOP — CID 15252639

IUPACN-[[(2E,4E)-hexa-2,4-dienyl]-prop-2-enylphosphoryl]-N-propan-2-ylpropan-2-amine
SMILESC=CCP(=O)(C/C=C/C=C/C)N(C(C)C)C(C)C
InChIInChI=1S/C15H28NOP/c1-7-9-10-11-13-18(17,12-8-2)16(14(3)4)15(5)6/h7-11,14-15H,2,12-13H2,1,3-6H3/b9-7+,11-10+
InChIKeyWVKSYSMVDYGGLF-RJECPTDASA-N
MW269.37 g/mol
LogP4.70
Rot. Bonds8

About N-[[(2E,4E)-hexa-2,4-dienyl]-prop-2-enylphosphoryl]-N-propan-2-ylpropan-2-amine

N-[[(2E,4E)-hexa-2,4-dienyl]-prop-2-enylphosphoryl]-N-propan-2-ylpropan-2-amine (PubChem CID 15252639) has the molecular formula C15H28NOP and a molecular weight of 269.37 g/mol. Its IUPAC name is N-[[(2E,4E)-hexa-2,4-dienyl]-prop-2-enylphosphoryl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[[(2E,4E)-hexa-2,4-dienyl]-prop-2-enylphosphoryl]-N-propan-2-ylpropan-2-amine
PubChem CID15252639
Molecular FormulaC15H28NOP
Molecular Weight269.37 g/mol
Exact Mass269.19
IUPAC NameN-[[(2E,4E)-hexa-2,4-dienyl]-prop-2-enylphosphoryl]-N-propan-2-ylpropan-2-amine
SMILESC=CCP(=O)(C/C=C/C=C/C)N(C(C)C)C(C)C
InChIInChI=1S/C15H28NOP/c1-7-9-10-11-13-18(17,12-8-2)16(14(3)4)15(5)6/h7-11,14-15H,2,12-13H2,1,3-6H3/b9-7+,11-10+
InChIKeyWVKSYSMVDYGGLF-RJECPTDASA-N
XLogP4.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[[(2E,4E)-hexa-2,4-dienyl]-prop-2-enylphosphoryl]-N-propan-2-ylpropan-2-amine with MolForge

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Related Compounds

4-methyldodeca-1,6,8,10-tetraene
CID 123717396
(5Z,7Z)-3-methylnona-1,5,7-triene
CID 142930221
7-methylocta-2,4-diene
CID 519923
ethane;(2Z,4Z)-7-methylocta-2,4-diene
CID 143708090
(E)-1-[[(E)-but-2-enoxy]-prop-2-enylphosphoryl]oxybut-2-ene
CID 11009764
1-hexa-2,4-dienylsulfonylhexa-2,4-diene
CID 57050656
(3Z,5Z,7Z)-nona-1,3,5,7-tetraene
CID 142107370
pentahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103-dopentacontaene
CID 90936747
pentahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63-dotriacontaene
CID 90694623
hendecahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109-pentapentacontaene
CID 90980447
pentacosahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123-dohexacontaene
CID 91034830
heptaoctaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85-tritetracontaene
CID 91440201

Frequently Asked Questions

What is the IUPAC name of N-[[(2E,4E)-hexa-2,4-dienyl]-prop-2-enylphosphoryl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[[(2E,4E)-hexa-2,4-dienyl]-prop-2-enylphosphoryl]-N-propan-2-ylpropan-2-amine (CID 15252639) is N-[[(2E,4E)-hexa-2,4-dienyl]-prop-2-enylphosphoryl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[[(2E,4E)-hexa-2,4-dienyl]-prop-2-enylphosphoryl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[[(2E,4E)-hexa-2,4-dienyl]-prop-2-enylphosphoryl]-N-propan-2-ylpropan-2-amine is C=CCP(=O)(C/C=C/C=C/C)N(C(C)C)C(C)C.
What is the InChIKey of N-[[(2E,4E)-hexa-2,4-dienyl]-prop-2-enylphosphoryl]-N-propan-2-ylpropan-2-amine?
The InChIKey is WVKSYSMVDYGGLF-RJECPTDASA-N. The full InChI is InChI=1S/C15H28NOP/c1-7-9-10-11-13-18(17,12-8-2)16(14(3)4)15(5)6/h7-11,14-15H,2,12-13H2,1,3-6H3/b9-7+,11-10+.
What are the key properties of N-[[(2E,4E)-hexa-2,4-dienyl]-prop-2-enylphosphoryl]-N-propan-2-ylpropan-2-amine?
N-[[(2E,4E)-hexa-2,4-dienyl]-prop-2-enylphosphoryl]-N-propan-2-ylpropan-2-amine has a molecular weight of 269.37 g/mol, XLogP of 4.70, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2E,4E)-hexa-2,4-dienyl]-prop-2-enylphosphoryl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 15252639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).