(5-methyl-4H-pyran-3-yl)methanamine

C7H11NO — CID 143517599

IUPAC(5-methyl-4H-pyran-3-yl)methanamine
SMILESCC1=COC=C(CN)C1
InChIInChI=1S/C7H11NO/c1-6-2-7(3-8)5-9-4-6/h4-5H,2-3,8H2,1H3
InChIKeyJQMDQQQROXEGED-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.15
Rot. Bonds1

About (5-methyl-4H-pyran-3-yl)methanamine

(5-methyl-4H-pyran-3-yl)methanamine (PubChem CID 143517599) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (5-methyl-4H-pyran-3-yl)methanamine.

Molecular Properties

Compound Name(5-methyl-4H-pyran-3-yl)methanamine
PubChem CID143517599
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(5-methyl-4H-pyran-3-yl)methanamine
SMILESCC1=COC=C(CN)C1
InChIInChI=1S/C7H11NO/c1-6-2-7(3-8)5-9-4-6/h4-5H,2-3,8H2,1H3
InChIKeyJQMDQQQROXEGED-UHFFFAOYSA-N
XLogP1.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-3,4-dihydro-2H-pyran-2-amine
CID 90932214
(E)-4-ethoxy-3-methylbut-3-en-1-amine
CID 55254422
(3,4-Dihydro-2h-pyran-5-yl)methanamine
CID 104058857
5-Methoxy-2-methylidenepentan-1-amine
CID 117266250
(Z)-4-ethoxy-3-methylbut-3-en-1-amine
CID 133669761

Frequently Asked Questions

What is the IUPAC name of (5-methyl-4H-pyran-3-yl)methanamine?
The IUPAC name of (5-methyl-4H-pyran-3-yl)methanamine (CID 143517599) is (5-methyl-4H-pyran-3-yl)methanamine.
What is the SMILES notation for (5-methyl-4H-pyran-3-yl)methanamine?
The canonical SMILES for (5-methyl-4H-pyran-3-yl)methanamine is CC1=COC=C(CN)C1.
What is the InChIKey of (5-methyl-4H-pyran-3-yl)methanamine?
The InChIKey is JQMDQQQROXEGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-6-2-7(3-8)5-9-4-6/h4-5H,2-3,8H2,1H3.
What are the key properties of (5-methyl-4H-pyran-3-yl)methanamine?
(5-methyl-4H-pyran-3-yl)methanamine has a molecular weight of 125.17 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-4H-pyran-3-yl)methanamine is sourced from PubChem (CID 143517599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).