3-methoxy-3-methyl-1-(oxolan-3-yl)butan-1-amine

C10H21NO2 — CID 103027189

IUPAC3-methoxy-3-methyl-1-(oxolan-3-yl)butan-1-amine
SMILESCOC(C)(C)CC(N)C1CCOC1
InChIInChI=1S/C10H21NO2/c1-10(2,12-3)6-9(11)8-4-5-13-7-8/h8-9H,4-7,11H2,1-3H3
InChIKeyIKTRGXJHKJIHNA-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.17
Rot. Bonds4

About 3-methoxy-3-methyl-1-(oxolan-3-yl)butan-1-amine

3-methoxy-3-methyl-1-(oxolan-3-yl)butan-1-amine (PubChem CID 103027189) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 3-methoxy-3-methyl-1-(oxolan-3-yl)butan-1-amine.

Molecular Properties

Compound Name3-methoxy-3-methyl-1-(oxolan-3-yl)butan-1-amine
PubChem CID103027189
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name3-methoxy-3-methyl-1-(oxolan-3-yl)butan-1-amine
SMILESCOC(C)(C)CC(N)C1CCOC1
InChIInChI=1S/C10H21NO2/c1-10(2,12-3)6-9(11)8-4-5-13-7-8/h8-9H,4-7,11H2,1-3H3
InChIKeyIKTRGXJHKJIHNA-UHFFFAOYSA-N
XLogP1.17
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-1-(oxolan-3-yl)butan-1-amine?
The IUPAC name of 3-methoxy-3-methyl-1-(oxolan-3-yl)butan-1-amine (CID 103027189) is 3-methoxy-3-methyl-1-(oxolan-3-yl)butan-1-amine.
What is the SMILES notation for 3-methoxy-3-methyl-1-(oxolan-3-yl)butan-1-amine?
The canonical SMILES for 3-methoxy-3-methyl-1-(oxolan-3-yl)butan-1-amine is COC(C)(C)CC(N)C1CCOC1.
What is the InChIKey of 3-methoxy-3-methyl-1-(oxolan-3-yl)butan-1-amine?
The InChIKey is IKTRGXJHKJIHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-10(2,12-3)6-9(11)8-4-5-13-7-8/h8-9H,4-7,11H2,1-3H3.
What are the key properties of 3-methoxy-3-methyl-1-(oxolan-3-yl)butan-1-amine?
3-methoxy-3-methyl-1-(oxolan-3-yl)butan-1-amine has a molecular weight of 187.28 g/mol, XLogP of 1.17, 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-(oxolan-3-yl)butan-1-amine is sourced from PubChem (CID 103027189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).