3-amino-2-methyl-1-propan-2-yloxybutan-2-ol

C8H19NO2 — CID 130574290

IUPAC3-amino-2-methyl-1-propan-2-yloxybutan-2-ol
SMILESCC(C)OCC(C)(O)C(C)N
InChIInChI=1S/C8H19NO2/c1-6(2)11-5-8(4,10)7(3)9/h6-7,10H,5,9H2,1-4H3
InChIKeyYXBFCJCRHHGIED-UHFFFAOYSA-N
MW161.24 g/mol
LogP0.51
Rot. Bonds4

About 3-amino-2-methyl-1-propan-2-yloxybutan-2-ol

3-amino-2-methyl-1-propan-2-yloxybutan-2-ol (PubChem CID 130574290) has the molecular formula C8H19NO2 and a molecular weight of 161.24 g/mol. Its IUPAC name is 3-amino-2-methyl-1-propan-2-yloxybutan-2-ol.

Molecular Properties

Compound Name3-amino-2-methyl-1-propan-2-yloxybutan-2-ol
PubChem CID130574290
Molecular FormulaC8H19NO2
Molecular Weight161.24 g/mol
Exact Mass161.14
IUPAC Name3-amino-2-methyl-1-propan-2-yloxybutan-2-ol
SMILESCC(C)OCC(C)(O)C(C)N
InChIInChI=1S/C8H19NO2/c1-6(2)11-5-8(4,10)7(3)9/h6-7,10H,5,9H2,1-4H3
InChIKeyYXBFCJCRHHGIED-UHFFFAOYSA-N
XLogP0.51
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 ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-propan-2-yloxypropan-2-ol
CID 57307102
2-methyl-1-propan-2-yloxypropan-2-ol
CID 547751
3-methyl-2-(propan-2-yloxymethyl)butane-1,2,3-triol
CID 89015662
4-amino-1-methoxy-2,3-dimethylbutan-2-ol
CID 79136033
2-fluoro-3,3-dimethyl-2-(propan-2-yloxymethyl)butan-1-amine
CID 112566443
3,3-dimethyl-4-propan-2-yloxybutanoic acid
CID 81004424
3-fluoro-4-methoxy-3-methylbutan-2-amine
CID 130574602
2,2-difluoro-1-methoxy-3-propan-2-yloxypropane
CID 162617253
3-amino-2-methyl-1-(1-methylcyclopentyl)butan-2-ol
CID 130578289
(2S)-2-(2-hydroxy-2,3-dimethylbutoxy)propanoic acid
CID 104930414
methyl 3-hydroxy-2,3,5-trimethylhexanoate
CID 62393814
N,N,2,2-tetramethyl-3-propan-2-yloxypropan-1-amine
CID 58303667

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-1-propan-2-yloxybutan-2-ol?
The IUPAC name of 3-amino-2-methyl-1-propan-2-yloxybutan-2-ol (CID 130574290) is 3-amino-2-methyl-1-propan-2-yloxybutan-2-ol.
What is the SMILES notation for 3-amino-2-methyl-1-propan-2-yloxybutan-2-ol?
The canonical SMILES for 3-amino-2-methyl-1-propan-2-yloxybutan-2-ol is CC(C)OCC(C)(O)C(C)N.
What is the InChIKey of 3-amino-2-methyl-1-propan-2-yloxybutan-2-ol?
The InChIKey is YXBFCJCRHHGIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2/c1-6(2)11-5-8(4,10)7(3)9/h6-7,10H,5,9H2,1-4H3.
What are the key properties of 3-amino-2-methyl-1-propan-2-yloxybutan-2-ol?
3-amino-2-methyl-1-propan-2-yloxybutan-2-ol has a molecular weight of 161.24 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-1-propan-2-yloxybutan-2-ol is sourced from PubChem (CID 130574290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).