N-[(3-methoxyoxolan-3-yl)methyl]ethanamine

C8H17NO2 — CID 104759757

IUPACN-[(3-methoxyoxolan-3-yl)methyl]ethanamine
SMILESCCNCC1(OC)CCOC1
InChIInChI=1S/C8H17NO2/c1-3-9-6-8(10-2)4-5-11-7-8/h9H,3-7H2,1-2H3
InChIKeyDRPUMWPBKIBGAZ-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.40
Rot. Bonds4

About N-[(3-methoxyoxolan-3-yl)methyl]ethanamine

N-[(3-methoxyoxolan-3-yl)methyl]ethanamine (PubChem CID 104759757) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is N-[(3-methoxyoxolan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-methoxyoxolan-3-yl)methyl]ethanamine
PubChem CID104759757
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC NameN-[(3-methoxyoxolan-3-yl)methyl]ethanamine
SMILESCCNCC1(OC)CCOC1
InChIInChI=1S/C8H17NO2/c1-3-9-6-8(10-2)4-5-11-7-8/h9H,3-7H2,1-2H3
InChIKeyDRPUMWPBKIBGAZ-UHFFFAOYSA-N
XLogP0.40
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]ethanamine?
The IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]ethanamine (CID 104759757) is N-[(3-methoxyoxolan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-methoxyoxolan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-methoxyoxolan-3-yl)methyl]ethanamine is CCNCC1(OC)CCOC1.
What is the InChIKey of N-[(3-methoxyoxolan-3-yl)methyl]ethanamine?
The InChIKey is DRPUMWPBKIBGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-3-9-6-8(10-2)4-5-11-7-8/h9H,3-7H2,1-2H3.
What are the key properties of N-[(3-methoxyoxolan-3-yl)methyl]ethanamine?
N-[(3-methoxyoxolan-3-yl)methyl]ethanamine has a molecular weight of 159.23 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyoxolan-3-yl)methyl]ethanamine is sourced from PubChem (CID 104759757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).