3-methoxy-3-(oxolan-3-yl)propan-1-amine

C8H17NO2 — CID 115012480

IUPAC3-methoxy-3-(oxolan-3-yl)propan-1-amine
SMILESCOC(CCN)C1CCOC1
InChIInChI=1S/C8H17NO2/c1-10-8(2-4-9)7-3-5-11-6-7/h7-8H,2-6,9H2,1H3
InChIKeyNEXRDDFWWUSRTP-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.39
Rot. Bonds4

About 3-methoxy-3-(oxolan-3-yl)propan-1-amine

3-methoxy-3-(oxolan-3-yl)propan-1-amine (PubChem CID 115012480) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 3-methoxy-3-(oxolan-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-methoxy-3-(oxolan-3-yl)propan-1-amine
PubChem CID115012480
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name3-methoxy-3-(oxolan-3-yl)propan-1-amine
SMILESCOC(CCN)C1CCOC1
InChIInChI=1S/C8H17NO2/c1-10-8(2-4-9)7-3-5-11-6-7/h7-8H,2-6,9H2,1H3
InChIKeyNEXRDDFWWUSRTP-UHFFFAOYSA-N
XLogP0.39
TPSA44.48 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 ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-2-(oxolan-3-yl)ethanesulfonyl fluoride
CID 165459370
3-(1-methoxy-3-methylpentyl)oxolane
CID 177151433
(3S)-3-[(1R)-1-methoxyethyl]oxolane
CID 178131318
3-(1-methoxy-2-methylpropyl)oxolane
CID 164918486
4-methoxy-1-(oxolan-3-yl)pentan-1-ol
CID 105097696
3-methoxy-3-(1-methylpiperidin-3-yl)propan-1-amine
CID 105442328
2-ethoxy-2-(oxan-3-yl)ethanamine;hydrochloride
CID 155821536
1-(oxan-4-yl)propane-1,3-diamine
CID 116932858
[2-methoxy-1-(oxolan-3-yl)propyl]hydrazine
CID 105246847
3-(1-ethoxyethyl)oxolane
CID 11788363
1-(oxolan-3-yl)butan-1-amine
CID 63564938
[4-methoxy-4-methyl-1-(oxolan-3-yl)pentyl]hydrazine
CID 103026580

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-(oxolan-3-yl)propan-1-amine?
The IUPAC name of 3-methoxy-3-(oxolan-3-yl)propan-1-amine (CID 115012480) is 3-methoxy-3-(oxolan-3-yl)propan-1-amine.
What is the SMILES notation for 3-methoxy-3-(oxolan-3-yl)propan-1-amine?
The canonical SMILES for 3-methoxy-3-(oxolan-3-yl)propan-1-amine is COC(CCN)C1CCOC1.
What is the InChIKey of 3-methoxy-3-(oxolan-3-yl)propan-1-amine?
The InChIKey is NEXRDDFWWUSRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-10-8(2-4-9)7-3-5-11-6-7/h7-8H,2-6,9H2,1H3.
What are the key properties of 3-methoxy-3-(oxolan-3-yl)propan-1-amine?
3-methoxy-3-(oxolan-3-yl)propan-1-amine has a molecular weight of 159.23 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-(oxolan-3-yl)propan-1-amine is sourced from PubChem (CID 115012480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).