(4R)-3,3-dimethyloxan-4-amine

C7H15NO — CID 68942030

IUPAC(4R)-3,3-dimethyloxan-4-amine
SMILESCC1(C)COCC[C@H]1N
InChIInChI=1S/C7H15NO/c1-7(2)5-9-4-3-6(7)8/h6H,3-5,8H2,1-2H3/t6-/m1/s1
InChIKeyJGWGGKYRXGDOMC-ZCFIWIBFSA-N
MW129.20 g/mol
LogP0.76
Rot. Bonds

About (4R)-3,3-dimethyloxan-4-amine

(4R)-3,3-dimethyloxan-4-amine (PubChem CID 68942030) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (4R)-3,3-dimethyloxan-4-amine.

Molecular Properties

Compound Name(4R)-3,3-dimethyloxan-4-amine
PubChem CID68942030
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(4R)-3,3-dimethyloxan-4-amine
SMILESCC1(C)COCC[C@H]1N
InChIInChI=1S/C7H15NO/c1-7(2)5-9-4-3-6(7)8/h6H,3-5,8H2,1-2H3/t6-/m1/s1
InChIKeyJGWGGKYRXGDOMC-ZCFIWIBFSA-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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Frequently Asked Questions

What is the IUPAC name of (4R)-3,3-dimethyloxan-4-amine?
The IUPAC name of (4R)-3,3-dimethyloxan-4-amine (CID 68942030) is (4R)-3,3-dimethyloxan-4-amine.
What is the SMILES notation for (4R)-3,3-dimethyloxan-4-amine?
The canonical SMILES for (4R)-3,3-dimethyloxan-4-amine is CC1(C)COCC[C@H]1N.
What is the InChIKey of (4R)-3,3-dimethyloxan-4-amine?
The InChIKey is JGWGGKYRXGDOMC-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H15NO/c1-7(2)5-9-4-3-6(7)8/h6H,3-5,8H2,1-2H3/t6-/m1/s1.
What are the key properties of (4R)-3,3-dimethyloxan-4-amine?
(4R)-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 (4R)-3,3-dimethyloxan-4-amine is sourced from PubChem (CID 68942030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).