[4-(oxan-2-yl)-3-pyridinyl]methanamine

C11H16N2O — CID 115019133

IUPAC[4-(oxan-2-yl)-3-pyridinyl]methanamine
SMILESNCc1cnccc1C1CCCCO1
InChIInChI=1S/C11H16N2O/c12-7-9-8-13-5-4-10(9)11-3-1-2-6-14-11/h4-5,8,11H,1-3,6-7,12H2
InChIKeyCBEFCMYOXWYUJN-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.78
Rot. Bonds2

About [4-(oxan-2-yl)-3-pyridinyl]methanamine

[4-(oxan-2-yl)-3-pyridinyl]methanamine (PubChem CID 115019133) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is [4-(oxan-2-yl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(oxan-2-yl)-3-pyridinyl]methanamine
PubChem CID115019133
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name[4-(oxan-2-yl)-3-pyridinyl]methanamine
SMILESNCc1cnccc1C1CCCCO1
InChIInChI=1S/C11H16N2O/c12-7-9-8-13-5-4-10(9)11-3-1-2-6-14-11/h4-5,8,11H,1-3,6-7,12H2
InChIKeyCBEFCMYOXWYUJN-UHFFFAOYSA-N
XLogP1.78
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(oxan-2-yl)-3-pyridinyl]methanamine?
The IUPAC name of [4-(oxan-2-yl)-3-pyridinyl]methanamine (CID 115019133) is [4-(oxan-2-yl)-3-pyridinyl]methanamine.
What is the SMILES notation for [4-(oxan-2-yl)-3-pyridinyl]methanamine?
The canonical SMILES for [4-(oxan-2-yl)-3-pyridinyl]methanamine is NCc1cnccc1C1CCCCO1.
What is the InChIKey of [4-(oxan-2-yl)-3-pyridinyl]methanamine?
The InChIKey is CBEFCMYOXWYUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c12-7-9-8-13-5-4-10(9)11-3-1-2-6-14-11/h4-5,8,11H,1-3,6-7,12H2.
What are the key properties of [4-(oxan-2-yl)-3-pyridinyl]methanamine?
[4-(oxan-2-yl)-3-pyridinyl]methanamine has a molecular weight of 192.26 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(oxan-2-yl)-3-pyridinyl]methanamine is sourced from PubChem (CID 115019133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).