(6-methyl-2H-pyran-3-yl)methanamine

C7H11NO — CID 142957678

IUPAC(6-methyl-2H-pyran-3-yl)methanamine
SMILESCC1=CC=C(CN)CO1
InChIInChI=1S/C7H11NO/c1-6-2-3-7(4-8)5-9-6/h2-3H,4-5,8H2,1H3
InChIKeyNNYXEDLIVTZNGI-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.81
Rot. Bonds1

About (6-methyl-2H-pyran-3-yl)methanamine

(6-methyl-2H-pyran-3-yl)methanamine (PubChem CID 142957678) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (6-methyl-2H-pyran-3-yl)methanamine.

Molecular Properties

Compound Name(6-methyl-2H-pyran-3-yl)methanamine
PubChem CID142957678
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(6-methyl-2H-pyran-3-yl)methanamine
SMILESCC1=CC=C(CN)CO1
InChIInChI=1S/C7H11NO/c1-6-2-3-7(4-8)5-9-6/h2-3H,4-5,8H2,1H3
InChIKeyNNYXEDLIVTZNGI-UHFFFAOYSA-N
XLogP0.81
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 ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Fluoro-2-(hexa-2,4-dien-2-yloxymethyl)prop-2-en-1-amine
CID 123394914
2H-pyran-3-ylmethanamine
CID 21522747
4-Aminomethylpyran
CID 23344150
2H-Pyran-2-amine, 3-methyl-
CID 45116675
2H-pyran-6-ylmethanamine
CID 53884134
(Z)-2-(1-ethoxyethenyl)but-2-en-1-amine
CID 89270592
2-(1-Methoxyethenyl)but-2-en-1-amine
CID 123555474
3-Methoxy-2-methylhexa-2,4-dien-1-amine
CID 123607717
(2E,4Z)-3-ethoxyhexa-2,4-dien-1-amine
CID 129237747
(2E,4E)-2-methyl-5-propan-2-yloxyhepta-2,4,6-trien-1-amine
CID 144950725
2-[[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]oxymethyl]prop-2-en-1-amine
CID 146512280
2-[[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]oxymethyl]prop-2-en-1-amine
CID 170007133

Frequently Asked Questions

What is the IUPAC name of (6-methyl-2H-pyran-3-yl)methanamine?
The IUPAC name of (6-methyl-2H-pyran-3-yl)methanamine (CID 142957678) is (6-methyl-2H-pyran-3-yl)methanamine.
What is the SMILES notation for (6-methyl-2H-pyran-3-yl)methanamine?
The canonical SMILES for (6-methyl-2H-pyran-3-yl)methanamine is CC1=CC=C(CN)CO1.
What is the InChIKey of (6-methyl-2H-pyran-3-yl)methanamine?
The InChIKey is NNYXEDLIVTZNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-6-2-3-7(4-8)5-9-6/h2-3H,4-5,8H2,1H3.
What are the key properties of (6-methyl-2H-pyran-3-yl)methanamine?
(6-methyl-2H-pyran-3-yl)methanamine has a molecular weight of 125.17 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-2H-pyran-3-yl)methanamine is sourced from PubChem (CID 142957678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).