1-[2,6-dimethylhept-5-enyl(2-hydroxypropyl)amino]propan-2-ol

C15H31NO2 — CID 2846027

IUPAC1-[2,6-dimethylhept-5-enyl(2-hydroxypropyl)amino]propan-2-ol
SMILESCC(C)=CCCC(C)CN(CC(C)O)CC(C)O
InChIInChI=1S/C15H31NO2/c1-12(2)7-6-8-13(3)9-16(10-14(4)17)11-15(5)18/h7,13-15,17-18H,6,8-11H2,1-5H3
InChIKeyCMOQEHIPFLFODA-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.43
Rot. Bonds9

About 1-[2,6-dimethylhept-5-enyl(2-hydroxypropyl)amino]propan-2-ol

1-[2,6-dimethylhept-5-enyl(2-hydroxypropyl)amino]propan-2-ol (PubChem CID 2846027) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 1-[2,6-dimethylhept-5-enyl(2-hydroxypropyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[2,6-dimethylhept-5-enyl(2-hydroxypropyl)amino]propan-2-ol
PubChem CID2846027
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name1-[2,6-dimethylhept-5-enyl(2-hydroxypropyl)amino]propan-2-ol
SMILESCC(C)=CCCC(C)CN(CC(C)O)CC(C)O
InChIInChI=1S/C15H31NO2/c1-12(2)7-6-8-13(3)9-16(10-14(4)17)11-15(5)18/h7,13-15,17-18H,6,8-11H2,1-5H3
InChIKeyCMOQEHIPFLFODA-UHFFFAOYSA-N
XLogP2.43
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[2,6-dimethylhept-5-enyl(2-hydroxypropyl)amino]propan-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 1-[2,6-dimethylhept-5-enyl(2-hydroxypropyl)amino]propan-2-ol?
The IUPAC name of 1-[2,6-dimethylhept-5-enyl(2-hydroxypropyl)amino]propan-2-ol (CID 2846027) is 1-[2,6-dimethylhept-5-enyl(2-hydroxypropyl)amino]propan-2-ol.
What is the SMILES notation for 1-[2,6-dimethylhept-5-enyl(2-hydroxypropyl)amino]propan-2-ol?
The canonical SMILES for 1-[2,6-dimethylhept-5-enyl(2-hydroxypropyl)amino]propan-2-ol is CC(C)=CCCC(C)CN(CC(C)O)CC(C)O.
What is the InChIKey of 1-[2,6-dimethylhept-5-enyl(2-hydroxypropyl)amino]propan-2-ol?
The InChIKey is CMOQEHIPFLFODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-12(2)7-6-8-13(3)9-16(10-14(4)17)11-15(5)18/h7,13-15,17-18H,6,8-11H2,1-5H3.
What are the key properties of 1-[2,6-dimethylhept-5-enyl(2-hydroxypropyl)amino]propan-2-ol?
1-[2,6-dimethylhept-5-enyl(2-hydroxypropyl)amino]propan-2-ol has a molecular weight of 257.42 g/mol, XLogP of 2.43, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-dimethylhept-5-enyl(2-hydroxypropyl)amino]propan-2-ol is sourced from PubChem (CID 2846027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).