4,5,5-trimethyloxolan-3-amine

C7H15NO — CID 175604561

IUPAC4,5,5-trimethyloxolan-3-amine
SMILESCC1C(N)COC1(C)C
InChIInChI=1S/C7H15NO/c1-5-6(8)4-9-7(5,2)3/h5-6H,4,8H2,1-3H3
InChIKeyQUEFZRBPCBCVMD-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.76
Rot. Bonds

About 4,5,5-trimethyloxolan-3-amine

4,5,5-trimethyloxolan-3-amine (PubChem CID 175604561) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 4,5,5-trimethyloxolan-3-amine.

Molecular Properties

Compound Name4,5,5-trimethyloxolan-3-amine
PubChem CID175604561
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name4,5,5-trimethyloxolan-3-amine
SMILESCC1C(N)COC1(C)C
InChIInChI=1S/C7H15NO/c1-5-6(8)4-9-7(5,2)3/h5-6H,4,8H2,1-3H3
InChIKeyQUEFZRBPCBCVMD-UHFFFAOYSA-N
XLogP0.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-2,2-dimethyloxan-4-ol
CID 123616838
(4S,5S)-5-amino-2,2-dimethyloxan-4-ol
CID 118036455
(5-amino-2,2-dimethyloxan-4-yl)methanol
CID 162343129
4-amino-2,2-dimethyloxolan-3-one
CID 126990472
2,2-dimethyloxolan-3-amine
CID 59657974
4,4,5,6,6-pentamethyl-1,3-dioxane
CID 122415406
(3R,7R,7aR)-3,7a-dimethyl-2,3,3a,5,6,7-hexahydrofuro[3,2-b]pyran-7-amine
CID 137446462
trans-(1S,3S)-2,2-dimethylcyclopentane-1,3-diamine
CID 99867045
trans-(1R,2R)-2-methylcyclopropan-1-amine
CID 12953691
2-(2,5-dimethyl-1,3-dioxan-2-yl)ethanamine
CID 115062827
2,2-dimethyl-4-propan-2-yloxolan-3-ol
CID 126985762
CID 59269279
CID 59269279

Frequently Asked Questions

What is the IUPAC name of 4,5,5-trimethyloxolan-3-amine?
The IUPAC name of 4,5,5-trimethyloxolan-3-amine (CID 175604561) is 4,5,5-trimethyloxolan-3-amine.
What is the SMILES notation for 4,5,5-trimethyloxolan-3-amine?
The canonical SMILES for 4,5,5-trimethyloxolan-3-amine is CC1C(N)COC1(C)C.
What is the InChIKey of 4,5,5-trimethyloxolan-3-amine?
The InChIKey is QUEFZRBPCBCVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-5-6(8)4-9-7(5,2)3/h5-6H,4,8H2,1-3H3.
What are the key properties of 4,5,5-trimethyloxolan-3-amine?
4,5,5-trimethyloxolan-3-amine has a molecular weight of 129.20 g/mol, XLogP of 0.76, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,5-trimethyloxolan-3-amine is sourced from PubChem (CID 175604561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).