1-[3,7-dimethylocta-2,6-dienyl(2-hydroxypropyl)amino]propan-2-ol

C16H31NO2 — CID 2846035

IUPAC1-[3,7-dimethylocta-2,6-dienyl(2-hydroxypropyl)amino]propan-2-ol
SMILESCC(C)=CCCC(C)=CCN(CC(C)O)CC(C)O
InChIInChI=1S/C16H31NO2/c1-13(2)7-6-8-14(3)9-10-17(11-15(4)18)12-16(5)19/h7,9,15-16,18-19H,6,8,10-12H2,1-5H3
InChIKeyRZZINQFSDGIYIW-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.74
Rot. Bonds9

About 1-[3,7-dimethylocta-2,6-dienyl(2-hydroxypropyl)amino]propan-2-ol

1-[3,7-dimethylocta-2,6-dienyl(2-hydroxypropyl)amino]propan-2-ol (PubChem CID 2846035) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 1-[3,7-dimethylocta-2,6-dienyl(2-hydroxypropyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[3,7-dimethylocta-2,6-dienyl(2-hydroxypropyl)amino]propan-2-ol
PubChem CID2846035
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name1-[3,7-dimethylocta-2,6-dienyl(2-hydroxypropyl)amino]propan-2-ol
SMILESCC(C)=CCCC(C)=CCN(CC(C)O)CC(C)O
InChIInChI=1S/C16H31NO2/c1-13(2)7-6-8-14(3)9-10-17(11-15(4)18)12-16(5)19/h7,9,15-16,18-19H,6,8,10-12H2,1-5H3
InChIKeyRZZINQFSDGIYIW-UHFFFAOYSA-N
XLogP2.74
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 1-[3,7-dimethylocta-2,6-dienyl(2-hydroxypropyl)amino]propan-2-ol?
The IUPAC name of 1-[3,7-dimethylocta-2,6-dienyl(2-hydroxypropyl)amino]propan-2-ol (CID 2846035) is 1-[3,7-dimethylocta-2,6-dienyl(2-hydroxypropyl)amino]propan-2-ol.
What is the SMILES notation for 1-[3,7-dimethylocta-2,6-dienyl(2-hydroxypropyl)amino]propan-2-ol?
The canonical SMILES for 1-[3,7-dimethylocta-2,6-dienyl(2-hydroxypropyl)amino]propan-2-ol is CC(C)=CCCC(C)=CCN(CC(C)O)CC(C)O.
What is the InChIKey of 1-[3,7-dimethylocta-2,6-dienyl(2-hydroxypropyl)amino]propan-2-ol?
The InChIKey is RZZINQFSDGIYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-13(2)7-6-8-14(3)9-10-17(11-15(4)18)12-16(5)19/h7,9,15-16,18-19H,6,8,10-12H2,1-5H3.
What are the key properties of 1-[3,7-dimethylocta-2,6-dienyl(2-hydroxypropyl)amino]propan-2-ol?
1-[3,7-dimethylocta-2,6-dienyl(2-hydroxypropyl)amino]propan-2-ol has a molecular weight of 269.43 g/mol, XLogP of 2.74, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,7-dimethylocta-2,6-dienyl(2-hydroxypropyl)amino]propan-2-ol is sourced from PubChem (CID 2846035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).