4-amino-2,3-dimethyloxan-3-ol

C7H15NO2 — CID 141395814

IUPAC4-amino-2,3-dimethyloxan-3-ol
SMILESCC1OCCC(N)C1(C)O
InChIInChI=1S/C7H15NO2/c1-5-7(2,9)6(8)3-4-10-5/h5-6,9H,3-4,8H2,1-2H3
InChIKeyARRNVMGEGXOEKS-UHFFFAOYSA-N
MW145.20 g/mol
LogP-0.13
Rot. Bonds

About 4-amino-2,3-dimethyloxan-3-ol

4-amino-2,3-dimethyloxan-3-ol (PubChem CID 141395814) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 4-amino-2,3-dimethyloxan-3-ol.

Molecular Properties

Compound Name4-amino-2,3-dimethyloxan-3-ol
PubChem CID141395814
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name4-amino-2,3-dimethyloxan-3-ol
SMILESCC1OCCC(N)C1(C)O
InChIInChI=1S/C7H15NO2/c1-5-7(2,9)6(8)3-4-10-5/h5-6,9H,3-4,8H2,1-2H3
InChIKeyARRNVMGEGXOEKS-UHFFFAOYSA-N
XLogP-0.13
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,7R,7aR)-3,7a-dimethyl-2,3,3a,5,6,7-hexahydrofuro[3,2-b]pyran-7-amine
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2,2-dimethyloxolan-3-amine
CID 59657974
3-(aminomethyl)-N-cyclopropyl-N,2-dimethyloxolan-3-amine
CID 82717506
(2R,3S)-3-tert-butyl-2-methyloxolan-3-ol
CID 170415710
6-amino-N-cyclopropyl-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945284
7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 54594925
(1S,5R,6S)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 95396411
3-(aminomethyl)-N-cyclopentyl-N,2-dimethyloxolan-3-amine
CID 82717798
1,2,3-trimethylcyclopropan-1-ol
CID 91184731
3-[3-(aminomethyl)oxolan-3-yl]-2-methyloxolan-3-ol
CID 82721047
4-amino-3,3-dimethyloxan-2-one
CID 59657923
2-methyl-1-(oxan-4-yl)cyclobutan-1-ol
CID 130555054

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,3-dimethyloxan-3-ol?
The IUPAC name of 4-amino-2,3-dimethyloxan-3-ol (CID 141395814) is 4-amino-2,3-dimethyloxan-3-ol.
What is the SMILES notation for 4-amino-2,3-dimethyloxan-3-ol?
The canonical SMILES for 4-amino-2,3-dimethyloxan-3-ol is CC1OCCC(N)C1(C)O.
What is the InChIKey of 4-amino-2,3-dimethyloxan-3-ol?
The InChIKey is ARRNVMGEGXOEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-5-7(2,9)6(8)3-4-10-5/h5-6,9H,3-4,8H2,1-2H3.
What are the key properties of 4-amino-2,3-dimethyloxan-3-ol?
4-amino-2,3-dimethyloxan-3-ol has a molecular weight of 145.20 g/mol, XLogP of -0.13, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,3-dimethyloxan-3-ol is sourced from PubChem (CID 141395814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).