1-[(3-methoxyoxolan-3-yl)methylamino]butan-2-ol

C10H21NO3 — CID 104760822

IUPAC1-[(3-methoxyoxolan-3-yl)methylamino]butan-2-ol
SMILESCCC(O)CNCC1(OC)CCOC1
InChIInChI=1S/C10H21NO3/c1-3-9(12)6-11-7-10(13-2)4-5-14-8-10/h9,11-12H,3-8H2,1-2H3
InChIKeyRVQSGYKOEPGLDN-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.15
Rot. Bonds6

About 1-[(3-methoxyoxolan-3-yl)methylamino]butan-2-ol

1-[(3-methoxyoxolan-3-yl)methylamino]butan-2-ol (PubChem CID 104760822) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 1-[(3-methoxyoxolan-3-yl)methylamino]butan-2-ol.

Molecular Properties

Compound Name1-[(3-methoxyoxolan-3-yl)methylamino]butan-2-ol
PubChem CID104760822
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name1-[(3-methoxyoxolan-3-yl)methylamino]butan-2-ol
SMILESCCC(O)CNCC1(OC)CCOC1
InChIInChI=1S/C10H21NO3/c1-3-9(12)6-11-7-10(13-2)4-5-14-8-10/h9,11-12H,3-8H2,1-2H3
InChIKeyRVQSGYKOEPGLDN-UHFFFAOYSA-N
XLogP0.15
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methoxyoxolan-3-yl)methyl]-2-methylbutan-1-amine
CID 104705079
1-cyclohexyloxy-3-[(3-methoxyoxolan-3-yl)methylamino]propan-2-ol
CID 104760726
ethyl 3-[(3-methoxyoxolan-3-yl)methylamino]-2-methylpropanoate
CID 104760859
2-amino-3-[(3-methoxyoxolan-3-yl)methylamino]propanamide
CID 103266375
1-(3,4-difluorophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]ethanol
CID 104760733
1-(2,5-difluorophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]ethanol
CID 104760984
N-[(3-methoxyoxolan-3-yl)methyl]-1-(oxan-4-yl)methanamine
CID 104704975
1-(3-chlorophenoxy)-3-[(3-methoxyoxolan-3-yl)methylamino]propan-2-ol
CID 104760727
N-[(3-methoxyoxolan-3-yl)methyl]decan-1-amine
CID 104760902
4-[(3-methoxyoxolan-3-yl)methylamino]butan-1-ol
CID 104760742
2-[(3-methoxyoxolan-3-yl)methylamino]-1-(3-methoxyphenyl)ethanol
CID 104760779
4-[(3-methoxyoxolan-3-yl)methylamino]-2-methylbutan-2-ol
CID 104760933

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyoxolan-3-yl)methylamino]butan-2-ol?
The IUPAC name of 1-[(3-methoxyoxolan-3-yl)methylamino]butan-2-ol (CID 104760822) is 1-[(3-methoxyoxolan-3-yl)methylamino]butan-2-ol.
What is the SMILES notation for 1-[(3-methoxyoxolan-3-yl)methylamino]butan-2-ol?
The canonical SMILES for 1-[(3-methoxyoxolan-3-yl)methylamino]butan-2-ol is CCC(O)CNCC1(OC)CCOC1.
What is the InChIKey of 1-[(3-methoxyoxolan-3-yl)methylamino]butan-2-ol?
The InChIKey is RVQSGYKOEPGLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-3-9(12)6-11-7-10(13-2)4-5-14-8-10/h9,11-12H,3-8H2,1-2H3.
What are the key properties of 1-[(3-methoxyoxolan-3-yl)methylamino]butan-2-ol?
1-[(3-methoxyoxolan-3-yl)methylamino]butan-2-ol has a molecular weight of 203.28 g/mol, XLogP of 0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyoxolan-3-yl)methylamino]butan-2-ol is sourced from PubChem (CID 104760822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).