N-methyl-3,4-dihydro-2H-pyran-2-amine

C6H11NO — CID 53420680

IUPACN-methyl-3,4-dihydro-2H-pyran-2-amine
SMILESCNC1CCC=CO1
InChIInChI=1S/C6H11NO/c1-7-6-4-2-3-5-8-6/h3,5-7H,2,4H2,1H3
InChIKeyUXHCQWWDDNVDBR-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.86
Rot. Bonds1

About N-methyl-3,4-dihydro-2H-pyran-2-amine

N-methyl-3,4-dihydro-2H-pyran-2-amine (PubChem CID 53420680) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is N-methyl-3,4-dihydro-2H-pyran-2-amine.

Molecular Properties

Compound NameN-methyl-3,4-dihydro-2H-pyran-2-amine
PubChem CID53420680
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC NameN-methyl-3,4-dihydro-2H-pyran-2-amine
SMILESCNC1CCC=CO1
InChIInChI=1S/C6H11NO/c1-7-6-4-2-3-5-8-6/h3,5-7H,2,4H2,1H3
InChIKeyUXHCQWWDDNVDBR-UHFFFAOYSA-N
XLogP0.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3,4-dihydro-2H-pyran-2-amine?
The IUPAC name of N-methyl-3,4-dihydro-2H-pyran-2-amine (CID 53420680) is N-methyl-3,4-dihydro-2H-pyran-2-amine.
What is the SMILES notation for N-methyl-3,4-dihydro-2H-pyran-2-amine?
The canonical SMILES for N-methyl-3,4-dihydro-2H-pyran-2-amine is CNC1CCC=CO1.
What is the InChIKey of N-methyl-3,4-dihydro-2H-pyran-2-amine?
The InChIKey is UXHCQWWDDNVDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-7-6-4-2-3-5-8-6/h3,5-7H,2,4H2,1H3.
What are the key properties of N-methyl-3,4-dihydro-2H-pyran-2-amine?
N-methyl-3,4-dihydro-2H-pyran-2-amine has a molecular weight of 113.16 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3,4-dihydro-2H-pyran-2-amine is sourced from PubChem (CID 53420680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).