4-amino-3-methyl-2-(oxan-4-yl)butan-2-ol

C10H21NO2 — CID 105442753

IUPAC4-amino-3-methyl-2-(oxan-4-yl)butan-2-ol
SMILESCC(CN)C(C)(O)C1CCOCC1
InChIInChI=1S/C10H21NO2/c1-8(7-11)10(2,12)9-3-5-13-6-4-9/h8-9,12H,3-7,11H2,1-2H3
InChIKeySKNBEGPVKFBDGY-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.76
Rot. Bonds3

About 4-amino-3-methyl-2-(oxan-4-yl)butan-2-ol

4-amino-3-methyl-2-(oxan-4-yl)butan-2-ol (PubChem CID 105442753) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 4-amino-3-methyl-2-(oxan-4-yl)butan-2-ol.

Molecular Properties

Compound Name4-amino-3-methyl-2-(oxan-4-yl)butan-2-ol
PubChem CID105442753
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name4-amino-3-methyl-2-(oxan-4-yl)butan-2-ol
SMILESCC(CN)C(C)(O)C1CCOCC1
InChIInChI=1S/C10H21NO2/c1-8(7-11)10(2,12)9-3-5-13-6-4-9/h8-9,12H,3-7,11H2,1-2H3
InChIKeySKNBEGPVKFBDGY-UHFFFAOYSA-N
XLogP0.76
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethyl-3-(oxan-4-yl)pentan-3-ol
CID 126978853
(2R)-2-hydroxy-2-(oxan-4-yl)propanoic acid
CID 124510328
3,4-dimethyl-2-(oxolan-3-yl)pentan-2-ol
CID 131113950
2,3-dimethyl-2-(oxan-4-yl)butanamide
CID 126509080
1-cyclohexyl-1-(oxan-4-yl)ethanol
CID 114794901
4-(2,3,3,4-tetramethylpentan-2-yl)oxane
CID 178045907
2-(oxan-4-yl)butan-2-amine
CID 63936671
3-(aminomethyl)-2-methyl-7-(oxan-4-yl)heptan-3-ol
CID 114191778
(3R)-3-hydroxy-3-(oxan-4-yl)butanal
CID 97030759
4-(2-methylbutan-2-yl)oxane
CID 91527752
3-amino-2-methylpropane-1,1,1-triol
CID 18979369
2-methyl-3-[[2-methyl-2-(oxan-4-yl)propyl]amino]-3-oxopropanoic acid
CID 115164424

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-2-(oxan-4-yl)butan-2-ol?
The IUPAC name of 4-amino-3-methyl-2-(oxan-4-yl)butan-2-ol (CID 105442753) is 4-amino-3-methyl-2-(oxan-4-yl)butan-2-ol.
What is the SMILES notation for 4-amino-3-methyl-2-(oxan-4-yl)butan-2-ol?
The canonical SMILES for 4-amino-3-methyl-2-(oxan-4-yl)butan-2-ol is CC(CN)C(C)(O)C1CCOCC1.
What is the InChIKey of 4-amino-3-methyl-2-(oxan-4-yl)butan-2-ol?
The InChIKey is SKNBEGPVKFBDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-8(7-11)10(2,12)9-3-5-13-6-4-9/h8-9,12H,3-7,11H2,1-2H3.
What are the key properties of 4-amino-3-methyl-2-(oxan-4-yl)butan-2-ol?
4-amino-3-methyl-2-(oxan-4-yl)butan-2-ol has a molecular weight of 187.28 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-2-(oxan-4-yl)butan-2-ol is sourced from PubChem (CID 105442753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).