2-[methyl(octa-4,6-dienyl)amino]ethanol

C11H21NO — CID 87095726

IUPAC2-[methyl(octa-4,6-dienyl)amino]ethanol
SMILESCC=CC=CCCCN(C)CCO
InChIInChI=1S/C11H21NO/c1-3-4-5-6-7-8-9-12(2)10-11-13/h3-6,13H,7-11H2,1-2H3
InChIKeyKBYLBOOACIWWBK-UHFFFAOYSA-N
MW183.30 g/mol
LogP1.82
Rot. Bonds7

About 2-[methyl(octa-4,6-dienyl)amino]ethanol

2-[methyl(octa-4,6-dienyl)amino]ethanol (PubChem CID 87095726) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is 2-[methyl(octa-4,6-dienyl)amino]ethanol.

Molecular Properties

Compound Name2-[methyl(octa-4,6-dienyl)amino]ethanol
PubChem CID87095726
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Name2-[methyl(octa-4,6-dienyl)amino]ethanol
SMILESCC=CC=CCCCN(C)CCO
InChIInChI=1S/C11H21NO/c1-3-4-5-6-7-8-9-12(2)10-11-13/h3-6,13H,7-11H2,1-2H3
InChIKeyKBYLBOOACIWWBK-UHFFFAOYSA-N
XLogP1.82
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
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': 'polyene', 'substructure': 'N/A'}

Analyze 2-[methyl(octa-4,6-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

(10E,12E)-hexadeca-10,12,14-trien-1-ol
CID 134532994
trideca-2,4,6,8-tetraene
CID 54117998
(4E,6E,10E,12E)-tetradeca-4,6,10,12-tetraen-8-yn-1-ol
CID 101414495
(2E,4E,6E)-dodeca-2,4,6-triene
CID 10975832
ethane;2-[2-hydroxyethyl(methyl)amino]ethanol
CID 169191994
(2E,4E)-8-chloroocta-2,4-diene
CID 55302573
2-[[(E)-but-2-enyl]-methylamino]ethanol;ethane
CID 144566611
2-[2-hydroxyethyl(methyl)amino]ethanol;propane
CID 142839761
2-[methyl(pent-4-ynyl)amino]ethanol
CID 115872742
2-[4-aminobutyl(methyl)amino]ethanol
CID 12647849
11-chloroundeca-2,4-diene
CID 168861619
(5E,7E)-nona-5,7-dienoic acid
CID 5312593

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(octa-4,6-dienyl)amino]ethanol?
The IUPAC name of 2-[methyl(octa-4,6-dienyl)amino]ethanol (CID 87095726) is 2-[methyl(octa-4,6-dienyl)amino]ethanol.
What is the SMILES notation for 2-[methyl(octa-4,6-dienyl)amino]ethanol?
The canonical SMILES for 2-[methyl(octa-4,6-dienyl)amino]ethanol is CC=CC=CCCCN(C)CCO.
What is the InChIKey of 2-[methyl(octa-4,6-dienyl)amino]ethanol?
The InChIKey is KBYLBOOACIWWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-4-5-6-7-8-9-12(2)10-11-13/h3-6,13H,7-11H2,1-2H3.
What are the key properties of 2-[methyl(octa-4,6-dienyl)amino]ethanol?
2-[methyl(octa-4,6-dienyl)amino]ethanol has a molecular weight of 183.30 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(octa-4,6-dienyl)amino]ethanol is sourced from PubChem (CID 87095726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).