[3-methyl-6-[(3S)-oxolan-3-yl]oxy-2-pyridinyl]methanamine

C11H16N2O2 — CID 175226728

IUPAC[3-methyl-6-[(3S)-oxolan-3-yl]oxy-2-pyridinyl]methanamine
SMILESCc1ccc(O[C@H]2CCOC2)nc1CN
InChIInChI=1S/C11H16N2O2/c1-8-2-3-11(13-10(8)6-12)15-9-4-5-14-7-9/h2-3,9H,4-7,12H2,1H3/t9-/m0/s1
InChIKeyUNHADTIDXFWTNB-VIFPVBQESA-N
MW208.26 g/mol
LogP1.02
Rot. Bonds3

About [3-methyl-6-[(3S)-oxolan-3-yl]oxy-2-pyridinyl]methanamine

[3-methyl-6-[(3S)-oxolan-3-yl]oxy-2-pyridinyl]methanamine (PubChem CID 175226728) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is [3-methyl-6-[(3S)-oxolan-3-yl]oxy-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-methyl-6-[(3S)-oxolan-3-yl]oxy-2-pyridinyl]methanamine
PubChem CID175226728
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name[3-methyl-6-[(3S)-oxolan-3-yl]oxy-2-pyridinyl]methanamine
SMILESCc1ccc(O[C@H]2CCOC2)nc1CN
InChIInChI=1S/C11H16N2O2/c1-8-2-3-11(13-10(8)6-12)15-9-4-5-14-7-9/h2-3,9H,4-7,12H2,1H3/t9-/m0/s1
InChIKeyUNHADTIDXFWTNB-VIFPVBQESA-N
XLogP1.02
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-6-[(3S)-oxolan-3-yl]oxy-2-pyridinyl]methanamine?
The IUPAC name of [3-methyl-6-[(3S)-oxolan-3-yl]oxy-2-pyridinyl]methanamine (CID 175226728) is [3-methyl-6-[(3S)-oxolan-3-yl]oxy-2-pyridinyl]methanamine.
What is the SMILES notation for [3-methyl-6-[(3S)-oxolan-3-yl]oxy-2-pyridinyl]methanamine?
The canonical SMILES for [3-methyl-6-[(3S)-oxolan-3-yl]oxy-2-pyridinyl]methanamine is Cc1ccc(O[C@H]2CCOC2)nc1CN.
What is the InChIKey of [3-methyl-6-[(3S)-oxolan-3-yl]oxy-2-pyridinyl]methanamine?
The InChIKey is UNHADTIDXFWTNB-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8-2-3-11(13-10(8)6-12)15-9-4-5-14-7-9/h2-3,9H,4-7,12H2,1H3/t9-/m0/s1.
What are the key properties of [3-methyl-6-[(3S)-oxolan-3-yl]oxy-2-pyridinyl]methanamine?
[3-methyl-6-[(3S)-oxolan-3-yl]oxy-2-pyridinyl]methanamine has a molecular weight of 208.26 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-6-[(3S)-oxolan-3-yl]oxy-2-pyridinyl]methanamine is sourced from PubChem (CID 175226728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).