(4-propoxyoxan-4-yl)methanamine

C9H19NO2 — CID 65051760

IUPAC(4-propoxyoxan-4-yl)methanamine
SMILESCCCOC1(CN)CCOCC1
InChIInChI=1S/C9H19NO2/c1-2-5-12-9(8-10)3-6-11-7-4-9/h2-8,10H2,1H3
InChIKeyPAZZFQGGUMEBJB-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.92
Rot. Bonds4

About (4-propoxyoxan-4-yl)methanamine

(4-propoxyoxan-4-yl)methanamine (PubChem CID 65051760) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is (4-propoxyoxan-4-yl)methanamine.

Molecular Properties

Compound Name(4-propoxyoxan-4-yl)methanamine
PubChem CID65051760
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name(4-propoxyoxan-4-yl)methanamine
SMILESCCCOC1(CN)CCOCC1
InChIInChI=1S/C9H19NO2/c1-2-5-12-9(8-10)3-6-11-7-4-9/h2-8,10H2,1H3
InChIKeyPAZZFQGGUMEBJB-UHFFFAOYSA-N
XLogP0.92
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-propoxyoxan-4-yl)methanamine?
The IUPAC name of (4-propoxyoxan-4-yl)methanamine (CID 65051760) is (4-propoxyoxan-4-yl)methanamine.
What is the SMILES notation for (4-propoxyoxan-4-yl)methanamine?
The canonical SMILES for (4-propoxyoxan-4-yl)methanamine is CCCOC1(CN)CCOCC1.
What is the InChIKey of (4-propoxyoxan-4-yl)methanamine?
The InChIKey is PAZZFQGGUMEBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-2-5-12-9(8-10)3-6-11-7-4-9/h2-8,10H2,1H3.
What are the key properties of (4-propoxyoxan-4-yl)methanamine?
(4-propoxyoxan-4-yl)methanamine has a molecular weight of 173.26 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propoxyoxan-4-yl)methanamine is sourced from PubChem (CID 65051760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).