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

C11H23NO3 — CID 104705931

IUPAC1-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]butan-2-amine
SMILESCCC(COC)NCC1(OC)CCOC1
InChIInChI=1S/C11H23NO3/c1-4-10(7-13-2)12-8-11(14-3)5-6-15-9-11/h10,12H,4-9H2,1-3H3
InChIKeyYLRKFWYBBKCCLR-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.81
Rot. Bonds7

About 1-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]butan-2-amine

1-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]butan-2-amine (PubChem CID 104705931) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]butan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]butan-2-amine
PubChem CID104705931
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name1-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]butan-2-amine
SMILESCCC(COC)NCC1(OC)CCOC1
InChIInChI=1S/C11H23NO3/c1-4-10(7-13-2)12-8-11(14-3)5-6-15-9-11/h10,12H,4-9H2,1-3H3
InChIKeyYLRKFWYBBKCCLR-UHFFFAOYSA-N
XLogP0.81
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]butan-2-amine
CID 104705834
1,1-dimethoxy-N-[(3-methoxyoxolan-3-yl)methyl]propan-2-amine
CID 104759779
N-[(3-methoxyoxolan-3-yl)methyl]-2-methylbutan-1-amine
CID 104705079
1-[(3-methoxyoxolan-3-yl)methylamino]butan-2-ol
CID 104760822
1-(4-ethylphenyl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine
CID 104705857
1-(furan-2-yl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine
CID 104759685
2-[(3-methoxyoxolan-3-yl)methylamino]propanamide
CID 104704803
N'-hydroxy-2-[(3-methoxyoxolan-3-yl)methylamino]propanimidamide
CID 104762099
2-ethylsulfonyl-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine
CID 104760821
N-[(3-methoxyoxolan-3-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 104705951
4-[(3-methoxyoxolan-3-yl)methylamino]pentanoic acid
CID 104759780
methyl 2-cyclopropyl-2-[(3-methoxyoxolan-3-yl)methylamino]acetate
CID 104704764

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]butan-2-amine?
The IUPAC name of 1-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]butan-2-amine (CID 104705931) is 1-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]butan-2-amine.
What is the SMILES notation for 1-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]butan-2-amine?
The canonical SMILES for 1-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]butan-2-amine is CCC(COC)NCC1(OC)CCOC1.
What is the InChIKey of 1-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]butan-2-amine?
The InChIKey is YLRKFWYBBKCCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-4-10(7-13-2)12-8-11(14-3)5-6-15-9-11/h10,12H,4-9H2,1-3H3.
What are the key properties of 1-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]butan-2-amine?
1-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]butan-2-amine has a molecular weight of 217.31 g/mol, XLogP of 0.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]butan-2-amine is sourced from PubChem (CID 104705931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).