1-(oxolan-2-yl)-N-(pyridin-4-ylmethyl)methanamine

C11H16N2O — CID 3150972

IUPAC1-(oxolan-2-yl)-N-(pyridin-4-ylmethyl)methanamine
SMILESc1cc(CNCC2CCCO2)ccn1
InChIInChI=1S/C11H16N2O/c1-2-11(14-7-1)9-13-8-10-3-5-12-6-4-10/h3-6,11,13H,1-2,7-9H2
InChIKeyPPTBAWQVKOPXIY-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.35
Rot. Bonds4

About 1-(oxolan-2-yl)-N-(pyridin-4-ylmethyl)methanamine

1-(oxolan-2-yl)-N-(pyridin-4-ylmethyl)methanamine (PubChem CID 3150972) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-(oxolan-2-yl)-N-(pyridin-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(oxolan-2-yl)-N-(pyridin-4-ylmethyl)methanamine
PubChem CID3150972
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-(oxolan-2-yl)-N-(pyridin-4-ylmethyl)methanamine
SMILESc1cc(CNCC2CCCO2)ccn1
InChIInChI=1S/C11H16N2O/c1-2-11(14-7-1)9-13-8-10-3-5-12-6-4-10/h3-6,11,13H,1-2,7-9H2
InChIKeyPPTBAWQVKOPXIY-UHFFFAOYSA-N
XLogP1.35
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)-N-(pyridin-4-ylmethyl)methanamine?
The IUPAC name of 1-(oxolan-2-yl)-N-(pyridin-4-ylmethyl)methanamine (CID 3150972) is 1-(oxolan-2-yl)-N-(pyridin-4-ylmethyl)methanamine.
What is the SMILES notation for 1-(oxolan-2-yl)-N-(pyridin-4-ylmethyl)methanamine?
The canonical SMILES for 1-(oxolan-2-yl)-N-(pyridin-4-ylmethyl)methanamine is c1cc(CNCC2CCCO2)ccn1.
What is the InChIKey of 1-(oxolan-2-yl)-N-(pyridin-4-ylmethyl)methanamine?
The InChIKey is PPTBAWQVKOPXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-2-11(14-7-1)9-13-8-10-3-5-12-6-4-10/h3-6,11,13H,1-2,7-9H2.
What are the key properties of 1-(oxolan-2-yl)-N-(pyridin-4-ylmethyl)methanamine?
1-(oxolan-2-yl)-N-(pyridin-4-ylmethyl)methanamine has a molecular weight of 192.26 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)-N-(pyridin-4-ylmethyl)methanamine is sourced from PubChem (CID 3150972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).