2,2-dimethyloxan-4-amine

C7H15NO — CID 3809203

IUPAC2,2-dimethyloxan-4-amine
SMILESCC1(C)CC(N)CCO1
InChIInChI=1S/C7H15NO/c1-7(2)5-6(8)3-4-9-7/h6H,3-5,8H2,1-2H3
InChIKeyVXCNRARJXVLHLI-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.90
Rot. Bonds

About 2,2-dimethyloxan-4-amine

2,2-dimethyloxan-4-amine (PubChem CID 3809203) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 2,2-dimethyloxan-4-amine.

Molecular Properties

Compound Name2,2-dimethyloxan-4-amine
PubChem CID3809203
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name2,2-dimethyloxan-4-amine
SMILESCC1(C)CC(N)CCO1
InChIInChI=1S/C7H15NO/c1-7(2)5-6(8)3-4-9-7/h6H,3-5,8H2,1-2H3
InChIKeyVXCNRARJXVLHLI-UHFFFAOYSA-N
XLogP0.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyloxan-4-amine?
The IUPAC name of 2,2-dimethyloxan-4-amine (CID 3809203) is 2,2-dimethyloxan-4-amine.
What is the SMILES notation for 2,2-dimethyloxan-4-amine?
The canonical SMILES for 2,2-dimethyloxan-4-amine is CC1(C)CC(N)CCO1.
What is the InChIKey of 2,2-dimethyloxan-4-amine?
The InChIKey is VXCNRARJXVLHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-7(2)5-6(8)3-4-9-7/h6H,3-5,8H2,1-2H3.
What are the key properties of 2,2-dimethyloxan-4-amine?
2,2-dimethyloxan-4-amine has a molecular weight of 129.20 g/mol, XLogP of 0.90, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyloxan-4-amine is sourced from PubChem (CID 3809203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).