2-methyl-3-(2-propan-2-yloxyethylamino)butan-2-ol

C10H23NO2 — CID 104759401

IUPAC2-methyl-3-(2-propan-2-yloxyethylamino)butan-2-ol
SMILESCC(C)OCCNC(C)C(C)(C)O
InChIInChI=1S/C10H23NO2/c1-8(2)13-7-6-11-9(3)10(4,5)12/h8-9,11-12H,6-7H2,1-5H3
InChIKeyAXUJJICSCHDGOW-UHFFFAOYSA-N
MW189.30 g/mol
LogP1.16
Rot. Bonds6

About 2-methyl-3-(2-propan-2-yloxyethylamino)butan-2-ol

2-methyl-3-(2-propan-2-yloxyethylamino)butan-2-ol (PubChem CID 104759401) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 2-methyl-3-(2-propan-2-yloxyethylamino)butan-2-ol.

Molecular Properties

Compound Name2-methyl-3-(2-propan-2-yloxyethylamino)butan-2-ol
PubChem CID104759401
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name2-methyl-3-(2-propan-2-yloxyethylamino)butan-2-ol
SMILESCC(C)OCCNC(C)C(C)(C)O
InChIInChI=1S/C10H23NO2/c1-8(2)13-7-6-11-9(3)10(4,5)12/h8-9,11-12H,6-7H2,1-5H3
InChIKeyAXUJJICSCHDGOW-UHFFFAOYSA-N
XLogP1.16
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.16
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

3-(2-ethoxyethylamino)-2-methylbutan-2-ol
CID 65337537
N-(2-propan-2-yloxyethyl)propan-2-amine
CID 21034307
3-[(3-hydroxy-4-methoxybutyl)amino]-2-methylbutan-2-ol
CID 106244957
4-methoxy-4-methyl-N-(2-propan-2-yloxyethyl)pentan-2-amine
CID 104584741
2-methyl-3-(2-pyrazol-1-ylethylamino)butan-2-ol
CID 65337680
1,1-difluoro-N-(2-propan-2-yloxyethyl)propan-2-amine
CID 102870034
1-chloro-N-(2-propan-2-yloxyethyl)propan-2-amine
CID 65025563
1-methoxy-N-(2-propan-2-yloxyethyl)propan-2-amine
CID 60688575
5-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylpentan-1-ol
CID 106157496
1,1-dimethoxy-N-(2-propan-2-yloxyethyl)propan-2-amine
CID 104759381
1-iodo-3-methyl-N-(2-propan-2-yloxyethyl)butan-2-amine
CID 107859361
2-(propan-2-ylamino)-N-(2-propan-2-yloxyethyl)acetamide
CID 104761099

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-propan-2-yloxyethylamino)butan-2-ol?
The IUPAC name of 2-methyl-3-(2-propan-2-yloxyethylamino)butan-2-ol (CID 104759401) is 2-methyl-3-(2-propan-2-yloxyethylamino)butan-2-ol.
What is the SMILES notation for 2-methyl-3-(2-propan-2-yloxyethylamino)butan-2-ol?
The canonical SMILES for 2-methyl-3-(2-propan-2-yloxyethylamino)butan-2-ol is CC(C)OCCNC(C)C(C)(C)O.
What is the InChIKey of 2-methyl-3-(2-propan-2-yloxyethylamino)butan-2-ol?
The InChIKey is AXUJJICSCHDGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2/c1-8(2)13-7-6-11-9(3)10(4,5)12/h8-9,11-12H,6-7H2,1-5H3.
What are the key properties of 2-methyl-3-(2-propan-2-yloxyethylamino)butan-2-ol?
2-methyl-3-(2-propan-2-yloxyethylamino)butan-2-ol has a molecular weight of 189.30 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-propan-2-yloxyethylamino)butan-2-ol is sourced from PubChem (CID 104759401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).