N,3-dimethyloxan-4-amine

C7H15NO — CID 71648095

IUPACN,3-dimethyloxan-4-amine
SMILESCNC1CCOCC1C
InChIInChI=1S/C7H15NO/c1-6-5-9-4-3-7(6)8-2/h6-8H,3-5H2,1-2H3
InChIKeyNJGSBSHBWBRWHE-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.63
Rot. Bonds1

About N,3-dimethyloxan-4-amine

N,3-dimethyloxan-4-amine (PubChem CID 71648095) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is N,3-dimethyloxan-4-amine.

Molecular Properties

Compound NameN,3-dimethyloxan-4-amine
PubChem CID71648095
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC NameN,3-dimethyloxan-4-amine
SMILESCNC1CCOCC1C
InChIInChI=1S/C7H15NO/c1-6-5-9-4-3-7(6)8-2/h6-8H,3-5H2,1-2H3
InChIKeyNJGSBSHBWBRWHE-UHFFFAOYSA-N
XLogP0.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyloxan-4-amine?
The IUPAC name of N,3-dimethyloxan-4-amine (CID 71648095) is N,3-dimethyloxan-4-amine.
What is the SMILES notation for N,3-dimethyloxan-4-amine?
The canonical SMILES for N,3-dimethyloxan-4-amine is CNC1CCOCC1C.
What is the InChIKey of N,3-dimethyloxan-4-amine?
The InChIKey is NJGSBSHBWBRWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-6-5-9-4-3-7(6)8-2/h6-8H,3-5H2,1-2H3.
What are the key properties of N,3-dimethyloxan-4-amine?
N,3-dimethyloxan-4-amine has a molecular weight of 129.20 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyloxan-4-amine is sourced from PubChem (CID 71648095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).