3-methoxy-3-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine

C14H29NO2 — CID 103029491

IUPAC3-methoxy-3-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine
SMILESCOC(C)(C)CC(N)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C14H29NO2/c1-12(2,16-7)9-11(15)10-8-13(3,4)17-14(10,5)6/h10-11H,8-9,15H2,1-7H3
InChIKeyQKYLMXYEJMBCMR-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.72
Rot. Bonds4

About 3-methoxy-3-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine

3-methoxy-3-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine (PubChem CID 103029491) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 3-methoxy-3-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine.

Molecular Properties

Compound Name3-methoxy-3-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine
PubChem CID103029491
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name3-methoxy-3-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine
SMILESCOC(C)(C)CC(N)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C14H29NO2/c1-12(2,16-7)9-11(15)10-8-13(3,4)17-14(10,5)6/h10-11H,8-9,15H2,1-7H3
InChIKeyQKYLMXYEJMBCMR-UHFFFAOYSA-N
XLogP2.72
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methoxy-3-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine?
The IUPAC name of 3-methoxy-3-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine (CID 103029491) is 3-methoxy-3-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine.
What is the SMILES notation for 3-methoxy-3-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine?
The canonical SMILES for 3-methoxy-3-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine is COC(C)(C)CC(N)C1CC(C)(C)OC1(C)C.
What is the InChIKey of 3-methoxy-3-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine?
The InChIKey is QKYLMXYEJMBCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-12(2,16-7)9-11(15)10-8-13(3,4)17-14(10,5)6/h10-11H,8-9,15H2,1-7H3.
What are the key properties of 3-methoxy-3-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine?
3-methoxy-3-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine has a molecular weight of 243.39 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine is sourced from PubChem (CID 103029491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).