2-(3,7-dimethylocta-2,6-dienylamino)-2-methylpropan-1-ol

C14H27NO — CID 54323454

IUPAC2-(3,7-dimethylocta-2,6-dienylamino)-2-methylpropan-1-ol
SMILESCC(C)=CCCC(C)=CCNC(C)(C)CO
InChIInChI=1S/C14H27NO/c1-12(2)7-6-8-13(3)9-10-15-14(4,5)11-16/h7,9,15-16H,6,8,10-11H2,1-5H3
InChIKeySTGKYZNLYIWNAA-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.04
Rot. Bonds7

About 2-(3,7-dimethylocta-2,6-dienylamino)-2-methylpropan-1-ol

2-(3,7-dimethylocta-2,6-dienylamino)-2-methylpropan-1-ol (PubChem CID 54323454) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-(3,7-dimethylocta-2,6-dienylamino)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(3,7-dimethylocta-2,6-dienylamino)-2-methylpropan-1-ol
PubChem CID54323454
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2-(3,7-dimethylocta-2,6-dienylamino)-2-methylpropan-1-ol
SMILESCC(C)=CCCC(C)=CCNC(C)(C)CO
InChIInChI=1S/C14H27NO/c1-12(2)7-6-8-13(3)9-10-15-14(4,5)11-16/h7,9,15-16H,6,8,10-11H2,1-5H3
InChIKeySTGKYZNLYIWNAA-UHFFFAOYSA-N
XLogP3.04
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3,7-dimethylocta-2,6-dienylamino)-2-methylpropan-1-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 2-(3,7-dimethylocta-2,6-dienylamino)-2-methylpropan-1-ol?
The IUPAC name of 2-(3,7-dimethylocta-2,6-dienylamino)-2-methylpropan-1-ol (CID 54323454) is 2-(3,7-dimethylocta-2,6-dienylamino)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(3,7-dimethylocta-2,6-dienylamino)-2-methylpropan-1-ol?
The canonical SMILES for 2-(3,7-dimethylocta-2,6-dienylamino)-2-methylpropan-1-ol is CC(C)=CCCC(C)=CCNC(C)(C)CO.
What is the InChIKey of 2-(3,7-dimethylocta-2,6-dienylamino)-2-methylpropan-1-ol?
The InChIKey is STGKYZNLYIWNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-12(2)7-6-8-13(3)9-10-15-14(4,5)11-16/h7,9,15-16H,6,8,10-11H2,1-5H3.
What are the key properties of 2-(3,7-dimethylocta-2,6-dienylamino)-2-methylpropan-1-ol?
2-(3,7-dimethylocta-2,6-dienylamino)-2-methylpropan-1-ol has a molecular weight of 225.38 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,7-dimethylocta-2,6-dienylamino)-2-methylpropan-1-ol is sourced from PubChem (CID 54323454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).