2-(3-aminobutan-2-yloxy)butan-2-ol

C8H19NO2 — CID 87462188

IUPAC2-(3-aminobutan-2-yloxy)butan-2-ol
SMILESCCC(C)(O)OC(C)C(C)N
InChIInChI=1S/C8H19NO2/c1-5-8(4,10)11-7(3)6(2)9/h6-7,10H,5,9H2,1-4H3
InChIKeyIRSPXGAIHKTVBK-UHFFFAOYSA-N
MW161.24 g/mol
LogP0.86
Rot. Bonds4

About 2-(3-aminobutan-2-yloxy)butan-2-ol

2-(3-aminobutan-2-yloxy)butan-2-ol (PubChem CID 87462188) has the molecular formula C8H19NO2 and a molecular weight of 161.24 g/mol. Its IUPAC name is 2-(3-aminobutan-2-yloxy)butan-2-ol.

Molecular Properties

Compound Name2-(3-aminobutan-2-yloxy)butan-2-ol
PubChem CID87462188
Molecular FormulaC8H19NO2
Molecular Weight161.24 g/mol
Exact Mass161.14
IUPAC Name2-(3-aminobutan-2-yloxy)butan-2-ol
SMILESCCC(C)(O)OC(C)C(C)N
InChIInChI=1S/C8H19NO2/c1-5-8(4,10)11-7(3)6(2)9/h6-7,10H,5,9H2,1-4H3
InChIKeyIRSPXGAIHKTVBK-UHFFFAOYSA-N
XLogP0.86
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.24
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(2-methylbutan-2-yloxy)ethanamine
CID 23371049
(2S)-4-amino-2-ethoxypentan-2-ol
CID 163736531
(2S)-3-ethoxybutan-2-amine
CID 64712582
2-methyl-2-[3-(2-methylbutan-2-yloxy)butan-2-yloxy]butane
CID 155274945
6-amino-5-methylheptane-3,3,4,4-tetrol
CID 143704777
2,3-diamino-4,5,6,7-tetramethylnonan-5-ol
CID 138647319
3-methyl-3-propan-2-yloxypentan-1-ol
CID 123376010
2-(1-methoxyethoxy)butan-2-amine
CID 155164738
methanamine;2-methylbutan-2-ol
CID 142079467
2-(3-aminobutan-2-yloxy)ethanol
CID 142952551
2-(1-aminoethoxy)-3,3-dimethylbutan-2-ol
CID 174661773
2-aminobutan-2-ol;N-methylmethanamine
CID 174452553

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminobutan-2-yloxy)butan-2-ol?
The IUPAC name of 2-(3-aminobutan-2-yloxy)butan-2-ol (CID 87462188) is 2-(3-aminobutan-2-yloxy)butan-2-ol.
What is the SMILES notation for 2-(3-aminobutan-2-yloxy)butan-2-ol?
The canonical SMILES for 2-(3-aminobutan-2-yloxy)butan-2-ol is CCC(C)(O)OC(C)C(C)N.
What is the InChIKey of 2-(3-aminobutan-2-yloxy)butan-2-ol?
The InChIKey is IRSPXGAIHKTVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2/c1-5-8(4,10)11-7(3)6(2)9/h6-7,10H,5,9H2,1-4H3.
What are the key properties of 2-(3-aminobutan-2-yloxy)butan-2-ol?
2-(3-aminobutan-2-yloxy)butan-2-ol has a molecular weight of 161.24 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminobutan-2-yloxy)butan-2-ol is sourced from PubChem (CID 87462188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).