3-methoxy-2-(oxolan-3-ylmethoxy)propan-1-amine

C9H19NO3 — CID 103228594

IUPAC3-methoxy-2-(oxolan-3-ylmethoxy)propan-1-amine
SMILESCOCC(CN)OCC1CCOC1
InChIInChI=1S/C9H19NO3/c1-11-7-9(4-10)13-6-8-2-3-12-5-8/h8-9H,2-7,10H2,1H3
InChIKeyKWRYHCCIOXJPPL-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.01
Rot. Bonds6

About 3-methoxy-2-(oxolan-3-ylmethoxy)propan-1-amine

3-methoxy-2-(oxolan-3-ylmethoxy)propan-1-amine (PubChem CID 103228594) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 3-methoxy-2-(oxolan-3-ylmethoxy)propan-1-amine.

Molecular Properties

Compound Name3-methoxy-2-(oxolan-3-ylmethoxy)propan-1-amine
PubChem CID103228594
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name3-methoxy-2-(oxolan-3-ylmethoxy)propan-1-amine
SMILESCOCC(CN)OCC1CCOC1
InChIInChI=1S/C9H19NO3/c1-11-7-9(4-10)13-6-8-2-3-12-5-8/h8-9H,2-7,10H2,1H3
InChIKeyKWRYHCCIOXJPPL-UHFFFAOYSA-N
XLogP0.01
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(oxolan-3-ylmethoxy)propan-1-amine?
The IUPAC name of 3-methoxy-2-(oxolan-3-ylmethoxy)propan-1-amine (CID 103228594) is 3-methoxy-2-(oxolan-3-ylmethoxy)propan-1-amine.
What is the SMILES notation for 3-methoxy-2-(oxolan-3-ylmethoxy)propan-1-amine?
The canonical SMILES for 3-methoxy-2-(oxolan-3-ylmethoxy)propan-1-amine is COCC(CN)OCC1CCOC1.
What is the InChIKey of 3-methoxy-2-(oxolan-3-ylmethoxy)propan-1-amine?
The InChIKey is KWRYHCCIOXJPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-11-7-9(4-10)13-6-8-2-3-12-5-8/h8-9H,2-7,10H2,1H3.
What are the key properties of 3-methoxy-2-(oxolan-3-ylmethoxy)propan-1-amine?
3-methoxy-2-(oxolan-3-ylmethoxy)propan-1-amine has a molecular weight of 189.25 g/mol, XLogP of 0.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(oxolan-3-ylmethoxy)propan-1-amine is sourced from PubChem (CID 103228594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).