2-[ethyl(octa-3,7-dienyl)amino]ethanol

C12H23NO — CID 87095832

IUPAC2-[ethyl(octa-3,7-dienyl)amino]ethanol
SMILESC=CCCC=CCCN(CC)CCO
InChIInChI=1S/C12H23NO/c1-3-5-6-7-8-9-10-13(4-2)11-12-14/h3,7-8,14H,1,4-6,9-12H2,2H3
InChIKeyIFXLCMSESVDSHU-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.21
Rot. Bonds9

About 2-[ethyl(octa-3,7-dienyl)amino]ethanol

2-[ethyl(octa-3,7-dienyl)amino]ethanol (PubChem CID 87095832) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-[ethyl(octa-3,7-dienyl)amino]ethanol.

Molecular Properties

Compound Name2-[ethyl(octa-3,7-dienyl)amino]ethanol
PubChem CID87095832
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-[ethyl(octa-3,7-dienyl)amino]ethanol
SMILESC=CCCC=CCCN(CC)CCO
InChIInChI=1S/C12H23NO/c1-3-5-6-7-8-9-10-13(4-2)11-12-14/h3,7-8,14H,1,4-6,9-12H2,2H3
InChIKeyIFXLCMSESVDSHU-UHFFFAOYSA-N
XLogP2.21
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.21
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'}

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Related Compounds

2-[ethyl(octa-3,5-dienyl)amino]ethanol
CID 87095699
2-[bis(hex-3-enyl)amino]ethanol
CID 54039173
2-[2-(diethylamino)ethyl-ethylamino]ethanol
CID 18435173
2-[2-[2-[bis(2-hydroxyethyl)amino]ethyl-ethylamino]ethyl-(2-hydroxyethyl)amino]ethanol
CID 139832318
2-[ethyl(2-hydroxyethyl)amino]ethanol;2-[ethyl(propyl)amino]ethanol
CID 161297591
(5E)-deca-1,5,9-triene
CID 5362636
N-but-3-enyl-N-ethyl-3,3-dimethylbutan-1-amine
CID 89010873
2-[ethyl-[2-(methylamino)ethyl]amino]ethanol;formaldehyde
CID 143070492
(5Z,9E)-dodeca-1,5,9-triene
CID 173147853
2-[bis[2-(diethylamino)ethyl]amino]ethanol
CID 154212558
(5E)-nona-1,5-diene
CID 6429608
hexa-1,5-diene;propane;propan-1-ol
CID 145351847

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(octa-3,7-dienyl)amino]ethanol?
The IUPAC name of 2-[ethyl(octa-3,7-dienyl)amino]ethanol (CID 87095832) is 2-[ethyl(octa-3,7-dienyl)amino]ethanol.
What is the SMILES notation for 2-[ethyl(octa-3,7-dienyl)amino]ethanol?
The canonical SMILES for 2-[ethyl(octa-3,7-dienyl)amino]ethanol is C=CCCC=CCCN(CC)CCO.
What is the InChIKey of 2-[ethyl(octa-3,7-dienyl)amino]ethanol?
The InChIKey is IFXLCMSESVDSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-5-6-7-8-9-10-13(4-2)11-12-14/h3,7-8,14H,1,4-6,9-12H2,2H3.
What are the key properties of 2-[ethyl(octa-3,7-dienyl)amino]ethanol?
2-[ethyl(octa-3,7-dienyl)amino]ethanol has a molecular weight of 197.32 g/mol, XLogP of 2.21, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(octa-3,7-dienyl)amino]ethanol is sourced from PubChem (CID 87095832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).