3,3-dimethyloxan-4-amine

C7H15NO — CID 59657894

IUPAC3,3-dimethyloxan-4-amine
SMILESCC1(C)COCCC1N
InChIInChI=1S/C7H15NO/c1-7(2)5-9-4-3-6(7)8/h6H,3-5,8H2,1-2H3
InChIKeyJGWGGKYRXGDOMC-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.76
Rot. Bonds

About 3,3-dimethyloxan-4-amine

3,3-dimethyloxan-4-amine (PubChem CID 59657894) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 3,3-dimethyloxan-4-amine.

Molecular Properties

Compound Name3,3-dimethyloxan-4-amine
PubChem CID59657894
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name3,3-dimethyloxan-4-amine
SMILESCC1(C)COCCC1N
InChIInChI=1S/C7H15NO/c1-7(2)5-9-4-3-6(7)8/h6H,3-5,8H2,1-2H3
InChIKeyJGWGGKYRXGDOMC-UHFFFAOYSA-N
XLogP0.76
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 ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 55285194
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CID 55285641
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CID 68291597
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CID 68625130
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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyloxan-4-amine?
The IUPAC name of 3,3-dimethyloxan-4-amine (CID 59657894) is 3,3-dimethyloxan-4-amine.
What is the SMILES notation for 3,3-dimethyloxan-4-amine?
The canonical SMILES for 3,3-dimethyloxan-4-amine is CC1(C)COCCC1N.
What is the InChIKey of 3,3-dimethyloxan-4-amine?
The InChIKey is JGWGGKYRXGDOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-7(2)5-9-4-3-6(7)8/h6H,3-5,8H2,1-2H3.
What are the key properties of 3,3-dimethyloxan-4-amine?
3,3-dimethyloxan-4-amine has a molecular weight of 129.20 g/mol, XLogP of 0.76, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyloxan-4-amine is sourced from PubChem (CID 59657894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).