(3E,5Z,7E)-3,8-dimethyl-9-[methyl(propyl)amino]nona-3,5,7-trien-2-ol

C15H27NO — CID 143017797

IUPAC(3E,5Z,7E)-3,8-dimethyl-9-[methyl(propyl)amino]nona-3,5,7-trien-2-ol
SMILESCCCN(C)C/C(C)=C/C=C\C=C(/C)C(C)O
InChIInChI=1S/C15H27NO/c1-6-11-16(5)12-13(2)9-7-8-10-14(3)15(4)17/h7-10,15,17H,6,11-12H2,1-5H3/b8-7-,13-9+,14-10+
InChIKeyFFBRCKZYFMXZKK-JQEWSGGFSA-N
MW237.39 g/mol
LogP3.16
Rot. Bonds7

About (3E,5Z,7E)-3,8-dimethyl-9-[methyl(propyl)amino]nona-3,5,7-trien-2-ol

(3E,5Z,7E)-3,8-dimethyl-9-[methyl(propyl)amino]nona-3,5,7-trien-2-ol (PubChem CID 143017797) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is (3E,5Z,7E)-3,8-dimethyl-9-[methyl(propyl)amino]nona-3,5,7-trien-2-ol.

Molecular Properties

Compound Name(3E,5Z,7E)-3,8-dimethyl-9-[methyl(propyl)amino]nona-3,5,7-trien-2-ol
PubChem CID143017797
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name(3E,5Z,7E)-3,8-dimethyl-9-[methyl(propyl)amino]nona-3,5,7-trien-2-ol
SMILESCCCN(C)C/C(C)=C/C=C\C=C(/C)C(C)O
InChIInChI=1S/C15H27NO/c1-6-11-16(5)12-13(2)9-7-8-10-14(3)15(4)17/h7-10,15,17H,6,11-12H2,1-5H3/b8-7-,13-9+,14-10+
InChIKeyFFBRCKZYFMXZKK-JQEWSGGFSA-N
XLogP3.16
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3E,5Z,7E)-3,8-dimethyl-9-[methyl(propyl)amino]nona-3,5,7-trien-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3E,5Z,7E)-3,8-dimethyl-9-[methyl(propyl)amino]nona-3,5,7-trien-2-ol?
The IUPAC name of (3E,5Z,7E)-3,8-dimethyl-9-[methyl(propyl)amino]nona-3,5,7-trien-2-ol (CID 143017797) is (3E,5Z,7E)-3,8-dimethyl-9-[methyl(propyl)amino]nona-3,5,7-trien-2-ol.
What is the SMILES notation for (3E,5Z,7E)-3,8-dimethyl-9-[methyl(propyl)amino]nona-3,5,7-trien-2-ol?
The canonical SMILES for (3E,5Z,7E)-3,8-dimethyl-9-[methyl(propyl)amino]nona-3,5,7-trien-2-ol is CCCN(C)C/C(C)=C/C=C\C=C(/C)C(C)O.
What is the InChIKey of (3E,5Z,7E)-3,8-dimethyl-9-[methyl(propyl)amino]nona-3,5,7-trien-2-ol?
The InChIKey is FFBRCKZYFMXZKK-JQEWSGGFSA-N. The full InChI is InChI=1S/C15H27NO/c1-6-11-16(5)12-13(2)9-7-8-10-14(3)15(4)17/h7-10,15,17H,6,11-12H2,1-5H3/b8-7-,13-9+,14-10+.
What are the key properties of (3E,5Z,7E)-3,8-dimethyl-9-[methyl(propyl)amino]nona-3,5,7-trien-2-ol?
(3E,5Z,7E)-3,8-dimethyl-9-[methyl(propyl)amino]nona-3,5,7-trien-2-ol has a molecular weight of 237.39 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z,7E)-3,8-dimethyl-9-[methyl(propyl)amino]nona-3,5,7-trien-2-ol is sourced from PubChem (CID 143017797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).