3-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]butan-2-amine

C11H23NO3 — CID 104705834

IUPAC3-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]butan-2-amine
SMILESCOC(C)C(C)NCC1(OC)CCOC1
InChIInChI=1S/C11H23NO3/c1-9(10(2)13-3)12-7-11(14-4)5-6-15-8-11/h9-10,12H,5-8H2,1-4H3
InChIKeyXOVAYTQWEKTQGI-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.80
Rot. Bonds6

About 3-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]butan-2-amine

3-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]butan-2-amine (PubChem CID 104705834) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 3-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]butan-2-amine.

Molecular Properties

Compound Name3-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]butan-2-amine
PubChem CID104705834
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name3-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]butan-2-amine
SMILESCOC(C)C(C)NCC1(OC)CCOC1
InChIInChI=1S/C11H23NO3/c1-9(10(2)13-3)12-7-11(14-4)5-6-15-8-11/h9-10,12H,5-8H2,1-4H3
InChIKeyXOVAYTQWEKTQGI-UHFFFAOYSA-N
XLogP0.80
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-dimethoxy-N-[(3-methoxyoxolan-3-yl)methyl]propan-2-amine
CID 104759779
2-[(3-methoxyoxolan-3-yl)methylamino]propanamide
CID 104704803
1-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]butan-2-amine
CID 104705931
N'-hydroxy-2-[(3-methoxyoxolan-3-yl)methylamino]propanimidamide
CID 104762099
4-[(3-methoxyoxolan-3-yl)methylamino]pentanoic acid
CID 104759780
N-[(3-methoxyoxolan-3-yl)methyl]-2-methylbutan-1-amine
CID 104705079
N-[(3-methoxyoxolan-3-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 104761435
N-[(3-methoxyoxolan-3-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 104705951
1-(azepan-1-yl)-2-[(3-methoxyoxolan-3-yl)methylamino]propan-1-one
CID 104704791
methyl 2-cyclopropyl-2-[(3-methoxyoxolan-3-yl)methylamino]acetate
CID 104704764
propan-2-yl N-[(3-methoxyoxolan-3-yl)methyl]carbamate
CID 116657841
N-[(3-methoxyoxolan-3-yl)methyl]-1-(4-propylphenyl)ethanamine
CID 104705771

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]butan-2-amine?
The IUPAC name of 3-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]butan-2-amine (CID 104705834) is 3-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]butan-2-amine.
What is the SMILES notation for 3-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]butan-2-amine?
The canonical SMILES for 3-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]butan-2-amine is COC(C)C(C)NCC1(OC)CCOC1.
What is the InChIKey of 3-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]butan-2-amine?
The InChIKey is XOVAYTQWEKTQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-9(10(2)13-3)12-7-11(14-4)5-6-15-8-11/h9-10,12H,5-8H2,1-4H3.
What are the key properties of 3-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]butan-2-amine?
3-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]butan-2-amine has a molecular weight of 217.31 g/mol, XLogP of 0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]butan-2-amine is sourced from PubChem (CID 104705834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).