3-(2-ethoxyethylamino)-2-methylbutan-2-ol

C9H21NO2 — CID 65337537

IUPAC3-(2-ethoxyethylamino)-2-methylbutan-2-ol
SMILESCCOCCNC(C)C(C)(C)O
InChIInChI=1S/C9H21NO2/c1-5-12-7-6-10-8(2)9(3,4)11/h8,10-11H,5-7H2,1-4H3
InChIKeyCGQMWNDRVUWJRN-UHFFFAOYSA-N
MW175.27 g/mol
LogP0.77
Rot. Bonds6

About 3-(2-ethoxyethylamino)-2-methylbutan-2-ol

3-(2-ethoxyethylamino)-2-methylbutan-2-ol (PubChem CID 65337537) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 3-(2-ethoxyethylamino)-2-methylbutan-2-ol.

Molecular Properties

Compound Name3-(2-ethoxyethylamino)-2-methylbutan-2-ol
PubChem CID65337537
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name3-(2-ethoxyethylamino)-2-methylbutan-2-ol
SMILESCCOCCNC(C)C(C)(C)O
InChIInChI=1S/C9H21NO2/c1-5-12-7-6-10-8(2)9(3,4)11/h8,10-11H,5-7H2,1-4H3
InChIKeyCGQMWNDRVUWJRN-UHFFFAOYSA-N
XLogP0.77
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-(2-propan-2-yloxyethylamino)butan-2-ol
CID 104759401
(2S)-2-(2-ethoxyethylamino)-3-methylbutan-1-ol
CID 79250143
ethyl (2S)-2-(2-ethoxyethylamino)propanoate
CID 88726187
N-[2-(2-ethoxyethoxy)ethyl]butan-2-amine
CID 62565963
2-(2-ethoxyethylamino)-4-methylpentan-1-ol
CID 61246725
2-(2-ethoxyethylamino)-3-methylbutanoic acid
CID 43468734
methyl 3-(2-ethoxyethylamino)butanoate
CID 43590969
1-chloro-N-(2-ethoxyethyl)-3-methylbutan-2-amine
CID 79244933
2-methyl-3-(4,4,4-trifluorobutylamino)butan-2-ol
CID 115516246
N-(2-ethoxyethyl)-2,3,3-trimethylbutan-1-amine
CID 83143749
2-(2-ethoxyethylamino)butanoic acid
CID 64668941
5-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylpentan-1-ol
CID 106157496

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethylamino)-2-methylbutan-2-ol?
The IUPAC name of 3-(2-ethoxyethylamino)-2-methylbutan-2-ol (CID 65337537) is 3-(2-ethoxyethylamino)-2-methylbutan-2-ol.
What is the SMILES notation for 3-(2-ethoxyethylamino)-2-methylbutan-2-ol?
The canonical SMILES for 3-(2-ethoxyethylamino)-2-methylbutan-2-ol is CCOCCNC(C)C(C)(C)O.
What is the InChIKey of 3-(2-ethoxyethylamino)-2-methylbutan-2-ol?
The InChIKey is CGQMWNDRVUWJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-5-12-7-6-10-8(2)9(3,4)11/h8,10-11H,5-7H2,1-4H3.
What are the key properties of 3-(2-ethoxyethylamino)-2-methylbutan-2-ol?
3-(2-ethoxyethylamino)-2-methylbutan-2-ol has a molecular weight of 175.27 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethylamino)-2-methylbutan-2-ol is sourced from PubChem (CID 65337537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).