4-[2-(2-hydroxyethoxy)ethylamino]-3-methylbutan-1-ol

C9H21NO3 — CID 66107039

IUPAC4-[2-(2-hydroxyethoxy)ethylamino]-3-methylbutan-1-ol
SMILESCC(CCO)CNCCOCCO
InChIInChI=1S/C9H21NO3/c1-9(2-4-11)8-10-3-6-13-7-5-12/h9-12H,2-8H2,1H3
InChIKeyHDPGTURSJZLBRO-UHFFFAOYSA-N
MW191.27 g/mol
LogP-0.40
Rot. Bonds9

About 4-[2-(2-hydroxyethoxy)ethylamino]-3-methylbutan-1-ol

4-[2-(2-hydroxyethoxy)ethylamino]-3-methylbutan-1-ol (PubChem CID 66107039) has the molecular formula C9H21NO3 and a molecular weight of 191.27 g/mol. Its IUPAC name is 4-[2-(2-hydroxyethoxy)ethylamino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name4-[2-(2-hydroxyethoxy)ethylamino]-3-methylbutan-1-ol
PubChem CID66107039
Molecular FormulaC9H21NO3
Molecular Weight191.27 g/mol
Exact Mass191.15
IUPAC Name4-[2-(2-hydroxyethoxy)ethylamino]-3-methylbutan-1-ol
SMILESCC(CCO)CNCCOCCO
InChIInChI=1S/C9H21NO3/c1-9(2-4-11)8-10-3-6-13-7-5-12/h9-12H,2-8H2,1H3
InChIKeyHDPGTURSJZLBRO-UHFFFAOYSA-N
XLogP-0.40
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-butoxyethylamino)-3-methylbutan-1-ol
CID 66108115
3-methyl-4-(2-propan-2-yloxyethylamino)butan-1-ol
CID 66109201
2-[2-(3-methylbutylamino)ethoxy]ethanol
CID 28727325
4-(2,2-dimethoxyethylamino)-3-methylbutan-1-ol
CID 66089423
5-[2-(2-hydroxyethoxy)ethylamino]pentan-2-ol
CID 106130932
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139594890
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139594464
2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethanol
CID 123132110
4-(3,3-dimethylbutylamino)-3-methylbutan-1-ol
CID 66092499
(2S)-1-N-[2-[2-[[(2S)-2-aminopropyl]amino]ethoxy]ethyl]propane-1,2-diamine
CID 11806174
4-[2-(tert-butylamino)ethylamino]-3-methylbutan-1-ol
CID 107445803
3-methyl-4-(2-methylpentylamino)butan-1-ol
CID 66092685

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-hydroxyethoxy)ethylamino]-3-methylbutan-1-ol?
The IUPAC name of 4-[2-(2-hydroxyethoxy)ethylamino]-3-methylbutan-1-ol (CID 66107039) is 4-[2-(2-hydroxyethoxy)ethylamino]-3-methylbutan-1-ol.
What is the SMILES notation for 4-[2-(2-hydroxyethoxy)ethylamino]-3-methylbutan-1-ol?
The canonical SMILES for 4-[2-(2-hydroxyethoxy)ethylamino]-3-methylbutan-1-ol is CC(CCO)CNCCOCCO.
What is the InChIKey of 4-[2-(2-hydroxyethoxy)ethylamino]-3-methylbutan-1-ol?
The InChIKey is HDPGTURSJZLBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3/c1-9(2-4-11)8-10-3-6-13-7-5-12/h9-12H,2-8H2,1H3.
What are the key properties of 4-[2-(2-hydroxyethoxy)ethylamino]-3-methylbutan-1-ol?
4-[2-(2-hydroxyethoxy)ethylamino]-3-methylbutan-1-ol has a molecular weight of 191.27 g/mol, XLogP of -0.40, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-hydroxyethoxy)ethylamino]-3-methylbutan-1-ol is sourced from PubChem (CID 66107039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).