3,11,15-trimethyl-7-[(2-methylpropylamino)methyl]hexadeca-2,6,10,14-tetraen-1-ol

C24H43NO — CID 54168937

IUPAC3,11,15-trimethyl-7-[(2-methylpropylamino)methyl]hexadeca-2,6,10,14-tetraen-1-ol
SMILESCC(C)=CCCC(C)=CCCC(=CCCC(C)=CCO)CNCC(C)C
InChIInChI=1S/C24H43NO/c1-20(2)10-7-11-22(5)12-8-14-24(19-25-18-21(3)4)15-9-13-23(6)16-17-26/h10,12,15-16,21,25-26H,7-9,11,13-14,17-19H2,1-6H3
InChIKeyOTQMFAPWJMTOHK-UHFFFAOYSA-N
MW361.61 g/mol
LogP6.35
Rot. Bonds14

About 3,11,15-trimethyl-7-[(2-methylpropylamino)methyl]hexadeca-2,6,10,14-tetraen-1-ol

3,11,15-trimethyl-7-[(2-methylpropylamino)methyl]hexadeca-2,6,10,14-tetraen-1-ol (PubChem CID 54168937) has the molecular formula C24H43NO and a molecular weight of 361.61 g/mol. Its IUPAC name is 3,11,15-trimethyl-7-[(2-methylpropylamino)methyl]hexadeca-2,6,10,14-tetraen-1-ol.

Molecular Properties

Compound Name3,11,15-trimethyl-7-[(2-methylpropylamino)methyl]hexadeca-2,6,10,14-tetraen-1-ol
PubChem CID54168937
Molecular FormulaC24H43NO
Molecular Weight361.61 g/mol
Exact Mass361.33
IUPAC Name3,11,15-trimethyl-7-[(2-methylpropylamino)methyl]hexadeca-2,6,10,14-tetraen-1-ol
SMILESCC(C)=CCCC(C)=CCCC(=CCCC(C)=CCO)CNCC(C)C
InChIInChI=1S/C24H43NO/c1-20(2)10-7-11-22(5)12-8-14-24(19-25-18-21(3)4)15-9-13-23(6)16-17-26/h10,12,15-16,21,25-26H,7-9,11,13-14,17-19H2,1-6H3
InChIKeyOTQMFAPWJMTOHK-UHFFFAOYSA-N
XLogP6.35
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.61
LogP ≤ 56.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,11,15-trimethyl-7-[(2-methylpropylamino)methyl]hexadeca-2,6,10,14-tetraen-1-ol?
The IUPAC name of 3,11,15-trimethyl-7-[(2-methylpropylamino)methyl]hexadeca-2,6,10,14-tetraen-1-ol (CID 54168937) is 3,11,15-trimethyl-7-[(2-methylpropylamino)methyl]hexadeca-2,6,10,14-tetraen-1-ol.
What is the SMILES notation for 3,11,15-trimethyl-7-[(2-methylpropylamino)methyl]hexadeca-2,6,10,14-tetraen-1-ol?
The canonical SMILES for 3,11,15-trimethyl-7-[(2-methylpropylamino)methyl]hexadeca-2,6,10,14-tetraen-1-ol is CC(C)=CCCC(C)=CCCC(=CCCC(C)=CCO)CNCC(C)C.
What is the InChIKey of 3,11,15-trimethyl-7-[(2-methylpropylamino)methyl]hexadeca-2,6,10,14-tetraen-1-ol?
The InChIKey is OTQMFAPWJMTOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43NO/c1-20(2)10-7-11-22(5)12-8-14-24(19-25-18-21(3)4)15-9-13-23(6)16-17-26/h10,12,15-16,21,25-26H,7-9,11,13-14,17-19H2,1-6H3.
What are the key properties of 3,11,15-trimethyl-7-[(2-methylpropylamino)methyl]hexadeca-2,6,10,14-tetraen-1-ol?
3,11,15-trimethyl-7-[(2-methylpropylamino)methyl]hexadeca-2,6,10,14-tetraen-1-ol has a molecular weight of 361.61 g/mol, XLogP of 6.35, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,11,15-trimethyl-7-[(2-methylpropylamino)methyl]hexadeca-2,6,10,14-tetraen-1-ol is sourced from PubChem (CID 54168937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).