N,6-dimethyl-3,6-dihydro-2H-pyran-4-amine

C7H13NO — CID 129199318

IUPACN,6-dimethyl-3,6-dihydro-2H-pyran-4-amine
SMILESCNC1=CC(C)OCC1
InChIInChI=1S/C7H13NO/c1-6-5-7(8-2)3-4-9-6/h5-6,8H,3-4H2,1-2H3
InChIKeyKITXDEWWQDRUKY-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.90
Rot. Bonds1

About N,6-dimethyl-3,6-dihydro-2H-pyran-4-amine

N,6-dimethyl-3,6-dihydro-2H-pyran-4-amine (PubChem CID 129199318) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is N,6-dimethyl-3,6-dihydro-2H-pyran-4-amine.

Molecular Properties

Compound NameN,6-dimethyl-3,6-dihydro-2H-pyran-4-amine
PubChem CID129199318
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC NameN,6-dimethyl-3,6-dihydro-2H-pyran-4-amine
SMILESCNC1=CC(C)OCC1
InChIInChI=1S/C7H13NO/c1-6-5-7(8-2)3-4-9-6/h5-6,8H,3-4H2,1-2H3
InChIKeyKITXDEWWQDRUKY-UHFFFAOYSA-N
XLogP0.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-3,6-dihydro-2H-pyran-4-amine?
The IUPAC name of N,6-dimethyl-3,6-dihydro-2H-pyran-4-amine (CID 129199318) is N,6-dimethyl-3,6-dihydro-2H-pyran-4-amine.
What is the SMILES notation for N,6-dimethyl-3,6-dihydro-2H-pyran-4-amine?
The canonical SMILES for N,6-dimethyl-3,6-dihydro-2H-pyran-4-amine is CNC1=CC(C)OCC1.
What is the InChIKey of N,6-dimethyl-3,6-dihydro-2H-pyran-4-amine?
The InChIKey is KITXDEWWQDRUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-6-5-7(8-2)3-4-9-6/h5-6,8H,3-4H2,1-2H3.
What are the key properties of N,6-dimethyl-3,6-dihydro-2H-pyran-4-amine?
N,6-dimethyl-3,6-dihydro-2H-pyran-4-amine has a molecular weight of 127.19 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-3,6-dihydro-2H-pyran-4-amine is sourced from PubChem (CID 129199318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).