2-[methyl(octa-2,7-dienyl)amino]ethanol

C11H21NO — CID 87090792

IUPAC2-[methyl(octa-2,7-dienyl)amino]ethanol
SMILESC=CCCCC=CCN(C)CCO
InChIInChI=1S/C11H21NO/c1-3-4-5-6-7-8-9-12(2)10-11-13/h3,7-8,13H,1,4-6,9-11H2,2H3
InChIKeyUKESNGBMGDYMAV-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.82
Rot. Bonds8

About 2-[methyl(octa-2,7-dienyl)amino]ethanol

2-[methyl(octa-2,7-dienyl)amino]ethanol (PubChem CID 87090792) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-[methyl(octa-2,7-dienyl)amino]ethanol.

Molecular Properties

Compound Name2-[methyl(octa-2,7-dienyl)amino]ethanol
PubChem CID87090792
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-[methyl(octa-2,7-dienyl)amino]ethanol
SMILESC=CCCCC=CCN(C)CCO
InChIInChI=1S/C11H21NO/c1-3-4-5-6-7-8-9-12(2)10-11-13/h3,7-8,13H,1,4-6,9-11H2,2H3
InChIKeyUKESNGBMGDYMAV-UHFFFAOYSA-N
XLogP1.82
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[methyl(octa-2,7-dienyl)amino]ethanol with MolForge

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

Launch Full Analysis

Related Compounds

2-(Digeranylamino)ethanol
CID 6439694
Ethanol,8,12-trimethyl-3,7,11-tridecatrienyl)(methyl)amino]-, (E,E)-
CID 5470377
2-[Bis(3,7-dimethylocta-2,6-dien-1-yl)amino]ethan-1-ol
CID 134785
2-(2,6-diallyl-3,6-dihydro-1(2H)-pyridinyl)ethanol
CID 2869240
[(E)-but-2-enyl]-(2-hydroxyethyl)-dimethylazanium
CID 15029192
2-[bis[(E)-hex-3-enyl]amino]ethanol
CID 20336956
actinium;2-[2-hydroxyethyl-[(E)-4-methylpent-2-enyl]amino]ethanol
CID 21027129
2-[2-hydroxyethyl-[(E)-4-methylpent-2-enyl]amino]ethanol
CID 21027130
2-[methyl-[(2E)-octa-2,7-dienyl]amino]ethanol
CID 24764248
2-[Bis(hex-3-enyl)amino]ethanol
CID 54039173
Tris(hex-2-enyl)-(1-hydroxyethyl)azanium
CID 57017199
2-Hydroxyethyl-tris(pent-2-enyl)azanium
CID 57160331

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(octa-2,7-dienyl)amino]ethanol?
The IUPAC name of 2-[methyl(octa-2,7-dienyl)amino]ethanol (CID 87090792) is 2-[methyl(octa-2,7-dienyl)amino]ethanol.
What is the SMILES notation for 2-[methyl(octa-2,7-dienyl)amino]ethanol?
The canonical SMILES for 2-[methyl(octa-2,7-dienyl)amino]ethanol is C=CCCCC=CCN(C)CCO.
What is the InChIKey of 2-[methyl(octa-2,7-dienyl)amino]ethanol?
The InChIKey is UKESNGBMGDYMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-4-5-6-7-8-9-12(2)10-11-13/h3,7-8,13H,1,4-6,9-11H2,2H3.
What are the key properties of 2-[methyl(octa-2,7-dienyl)amino]ethanol?
2-[methyl(octa-2,7-dienyl)amino]ethanol has a molecular weight of 183.29 g/mol, XLogP of 1.82, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(octa-2,7-dienyl)amino]ethanol is sourced from PubChem (CID 87090792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).