1-amino-3,3-dimethyl-2-(oxan-3-yl)butan-2-ol

C11H23NO2 — CID 107135690

IUPAC1-amino-3,3-dimethyl-2-(oxan-3-yl)butan-2-ol
SMILESCC(C)(C)C(O)(CN)C1CCCOC1
InChIInChI=1S/C11H23NO2/c1-10(2,3)11(13,8-12)9-5-4-6-14-7-9/h9,13H,4-8,12H2,1-3H3
InChIKeyCMBZRELANFHSPT-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.15
Rot. Bonds2

About 1-amino-3,3-dimethyl-2-(oxan-3-yl)butan-2-ol

1-amino-3,3-dimethyl-2-(oxan-3-yl)butan-2-ol (PubChem CID 107135690) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-amino-3,3-dimethyl-2-(oxan-3-yl)butan-2-ol.

Molecular Properties

Compound Name1-amino-3,3-dimethyl-2-(oxan-3-yl)butan-2-ol
PubChem CID107135690
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name1-amino-3,3-dimethyl-2-(oxan-3-yl)butan-2-ol
SMILESCC(C)(C)C(O)(CN)C1CCCOC1
InChIInChI=1S/C11H23NO2/c1-10(2,3)11(13,8-12)9-5-4-6-14-7-9/h9,13H,4-8,12H2,1-3H3
InChIKeyCMBZRELANFHSPT-UHFFFAOYSA-N
XLogP1.15
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(oxan-3-yl)propan-2-amine
CID 82417868
3-(1-chloro-2-methylpropan-2-yl)oxane
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2-methoxy-2-(oxan-3-yl)propanamide
CID 177167479
(2R)-1-amino-2-cyclopentylpropan-2-ol
CID 94524784
3-amino-2-cycloheptyl-1,1,1-trifluoropropan-2-ol
CID 115034947
3-amino-2-cyclohexyl-1,1,1-trifluoropropan-2-ol
CID 83916807
2-cyclohexyl-2-methylpropan-1-amine
CID 19776368
2-cycloheptyl-2-methylpropan-1-amine
CID 82934909
2-methoxy-2-(oxan-3-yl)propanoic acid
CID 105443022
N-[3-methyl-3-(oxan-3-yl)butyl]cyclopropanamine
CID 107138108
(2S)-1-amino-2-cyclohexylpropan-2-ol
CID 93298138
1,1-difluoro-1-(oxan-3-yl)propan-2-amine
CID 105437927

Frequently Asked Questions

What is the IUPAC name of 1-amino-3,3-dimethyl-2-(oxan-3-yl)butan-2-ol?
The IUPAC name of 1-amino-3,3-dimethyl-2-(oxan-3-yl)butan-2-ol (CID 107135690) is 1-amino-3,3-dimethyl-2-(oxan-3-yl)butan-2-ol.
What is the SMILES notation for 1-amino-3,3-dimethyl-2-(oxan-3-yl)butan-2-ol?
The canonical SMILES for 1-amino-3,3-dimethyl-2-(oxan-3-yl)butan-2-ol is CC(C)(C)C(O)(CN)C1CCCOC1.
What is the InChIKey of 1-amino-3,3-dimethyl-2-(oxan-3-yl)butan-2-ol?
The InChIKey is CMBZRELANFHSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-10(2,3)11(13,8-12)9-5-4-6-14-7-9/h9,13H,4-8,12H2,1-3H3.
What are the key properties of 1-amino-3,3-dimethyl-2-(oxan-3-yl)butan-2-ol?
1-amino-3,3-dimethyl-2-(oxan-3-yl)butan-2-ol has a molecular weight of 201.31 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3,3-dimethyl-2-(oxan-3-yl)butan-2-ol is sourced from PubChem (CID 107135690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).