N-methyl-4H-pyran-3-amine

C6H9NO — CID 91456500

IUPACN-methyl-4H-pyran-3-amine
SMILESCNC1=COC=CC1
InChIInChI=1S/C6H9NO/c1-7-6-3-2-4-8-5-6/h2,4-5,7H,3H2,1H3
InChIKeyUFWYHINNZAUGQF-UHFFFAOYSA-N
MW111.14 g/mol
LogP0.98
Rot. Bonds1

About N-methyl-4H-pyran-3-amine

N-methyl-4H-pyran-3-amine (PubChem CID 91456500) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is N-methyl-4H-pyran-3-amine.

Molecular Properties

Compound NameN-methyl-4H-pyran-3-amine
PubChem CID91456500
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC NameN-methyl-4H-pyran-3-amine
SMILESCNC1=COC=CC1
InChIInChI=1S/C6H9NO/c1-7-6-3-2-4-8-5-6/h2,4-5,7H,3H2,1H3
InChIKeyUFWYHINNZAUGQF-UHFFFAOYSA-N
XLogP0.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4H-pyran-3-amine?
The IUPAC name of N-methyl-4H-pyran-3-amine (CID 91456500) is N-methyl-4H-pyran-3-amine.
What is the SMILES notation for N-methyl-4H-pyran-3-amine?
The canonical SMILES for N-methyl-4H-pyran-3-amine is CNC1=COC=CC1.
What is the InChIKey of N-methyl-4H-pyran-3-amine?
The InChIKey is UFWYHINNZAUGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-7-6-3-2-4-8-5-6/h2,4-5,7H,3H2,1H3.
What are the key properties of N-methyl-4H-pyran-3-amine?
N-methyl-4H-pyran-3-amine has a molecular weight of 111.14 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4H-pyran-3-amine is sourced from PubChem (CID 91456500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).