2-[4-methoxybutyl(propan-2-yl)amino]ethanol

C10H23NO2 — CID 115685977

IUPAC2-[4-methoxybutyl(propan-2-yl)amino]ethanol
SMILESCOCCCCN(CCO)C(C)C
InChIInChI=1S/C10H23NO2/c1-10(2)11(7-8-12)6-4-5-9-13-3/h10,12H,4-9H2,1-3H3
InChIKeyBSGDUXNPAICOMJ-UHFFFAOYSA-N
MW189.30 g/mol
LogP1.12
Rot. Bonds8

About 2-[4-methoxybutyl(propan-2-yl)amino]ethanol

2-[4-methoxybutyl(propan-2-yl)amino]ethanol (PubChem CID 115685977) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 2-[4-methoxybutyl(propan-2-yl)amino]ethanol.

Molecular Properties

Compound Name2-[4-methoxybutyl(propan-2-yl)amino]ethanol
PubChem CID115685977
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name2-[4-methoxybutyl(propan-2-yl)amino]ethanol
SMILESCOCCCCN(CCO)C(C)C
InChIInChI=1S/C10H23NO2/c1-10(2)11(7-8-12)6-4-5-9-13-3/h10,12H,4-9H2,1-3H3
InChIKeyBSGDUXNPAICOMJ-UHFFFAOYSA-N
XLogP1.12
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3-methoxypropoxy)ethyl-propan-2-ylamino]ethanol
CID 103182683
3-methoxy-N-(2-methoxyethyl)-N-propan-2-ylpropan-1-amine
CID 177187385
3-[4-methoxybutyl(propan-2-yl)amino]propanoic acid
CID 104648419
2-[3-methoxypropyl(pentan-3-yl)amino]ethanol
CID 62015077
4-[2-methoxyethyl(propan-2-yl)amino]butane-1-thiol
CID 82965257
2-[4-methoxybutyl(methyl)amino]ethanol
CID 115634030
2-[2-hydroxyethyl(5-methoxypentyl)amino]ethanol
CID 146845725
5-chloro-N-(2-methoxyethyl)-N-propan-2-ylpentan-1-amine
CID 82960772
7-[3-hydroxypropyl(propan-2-yl)amino]heptan-1-ol
CID 178129959
3-chloro-N-(2-methoxyethyl)-N-propan-2-ylpropan-1-amine
CID 63389217
N'-(2-methoxyethyl)-N'-propan-2-ylpropane-1,3-diamine
CID 43137377
5-[2-methoxyethyl(propan-2-yl)amino]pentanethioamide
CID 82951100

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxybutyl(propan-2-yl)amino]ethanol?
The IUPAC name of 2-[4-methoxybutyl(propan-2-yl)amino]ethanol (CID 115685977) is 2-[4-methoxybutyl(propan-2-yl)amino]ethanol.
What is the SMILES notation for 2-[4-methoxybutyl(propan-2-yl)amino]ethanol?
The canonical SMILES for 2-[4-methoxybutyl(propan-2-yl)amino]ethanol is COCCCCN(CCO)C(C)C.
What is the InChIKey of 2-[4-methoxybutyl(propan-2-yl)amino]ethanol?
The InChIKey is BSGDUXNPAICOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2/c1-10(2)11(7-8-12)6-4-5-9-13-3/h10,12H,4-9H2,1-3H3.
What are the key properties of 2-[4-methoxybutyl(propan-2-yl)amino]ethanol?
2-[4-methoxybutyl(propan-2-yl)amino]ethanol has a molecular weight of 189.30 g/mol, XLogP of 1.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxybutyl(propan-2-yl)amino]ethanol is sourced from PubChem (CID 115685977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).