N,N-dimethyl-3,6-dihydro-2H-pyran-2-amine

C7H13NO — CID 121271668

IUPACN,N-dimethyl-3,6-dihydro-2H-pyran-2-amine
SMILESCN(C)C1CC=CCO1
InChIInChI=1S/C7H13NO/c1-8(2)7-5-3-4-6-9-7/h3-4,7H,5-6H2,1-2H3
InChIKeyIVHDIBBOMUYCIT-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.85
Rot. Bonds1

About N,N-dimethyl-3,6-dihydro-2H-pyran-2-amine

N,N-dimethyl-3,6-dihydro-2H-pyran-2-amine (PubChem CID 121271668) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is N,N-dimethyl-3,6-dihydro-2H-pyran-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-3,6-dihydro-2H-pyran-2-amine
PubChem CID121271668
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC NameN,N-dimethyl-3,6-dihydro-2H-pyran-2-amine
SMILESCN(C)C1CC=CCO1
InChIInChI=1S/C7H13NO/c1-8(2)7-5-3-4-6-9-7/h3-4,7H,5-6H2,1-2H3
InChIKeyIVHDIBBOMUYCIT-UHFFFAOYSA-N
XLogP0.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3,6-dihydro-2H-pyran-2-amine?
The IUPAC name of N,N-dimethyl-3,6-dihydro-2H-pyran-2-amine (CID 121271668) is N,N-dimethyl-3,6-dihydro-2H-pyran-2-amine.
What is the SMILES notation for N,N-dimethyl-3,6-dihydro-2H-pyran-2-amine?
The canonical SMILES for N,N-dimethyl-3,6-dihydro-2H-pyran-2-amine is CN(C)C1CC=CCO1.
What is the InChIKey of N,N-dimethyl-3,6-dihydro-2H-pyran-2-amine?
The InChIKey is IVHDIBBOMUYCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-8(2)7-5-3-4-6-9-7/h3-4,7H,5-6H2,1-2H3.
What are the key properties of N,N-dimethyl-3,6-dihydro-2H-pyran-2-amine?
N,N-dimethyl-3,6-dihydro-2H-pyran-2-amine has a molecular weight of 127.19 g/mol, XLogP of 0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3,6-dihydro-2H-pyran-2-amine is sourced from PubChem (CID 121271668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).