(6,6-dimethyloxan-2-yl)methanamine

C8H17NO — CID 130172828

IUPAC(6,6-dimethyloxan-2-yl)methanamine
SMILESCC1(C)CCCC(CN)O1
InChIInChI=1S/C8H17NO/c1-8(2)5-3-4-7(6-9)10-8/h7H,3-6,9H2,1-2H3
InChIKeyOXZDBMPTWPRLSI-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.29
Rot. Bonds1

About (6,6-dimethyloxan-2-yl)methanamine

(6,6-dimethyloxan-2-yl)methanamine (PubChem CID 130172828) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (6,6-dimethyloxan-2-yl)methanamine.

Molecular Properties

Compound Name(6,6-dimethyloxan-2-yl)methanamine
PubChem CID130172828
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(6,6-dimethyloxan-2-yl)methanamine
SMILESCC1(C)CCCC(CN)O1
InChIInChI=1S/C8H17NO/c1-8(2)5-3-4-7(6-9)10-8/h7H,3-6,9H2,1-2H3
InChIKeyOXZDBMPTWPRLSI-UHFFFAOYSA-N
XLogP1.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6,6-dimethyloxan-2-yl)methanamine?
The IUPAC name of (6,6-dimethyloxan-2-yl)methanamine (CID 130172828) is (6,6-dimethyloxan-2-yl)methanamine.
What is the SMILES notation for (6,6-dimethyloxan-2-yl)methanamine?
The canonical SMILES for (6,6-dimethyloxan-2-yl)methanamine is CC1(C)CCCC(CN)O1.
What is the InChIKey of (6,6-dimethyloxan-2-yl)methanamine?
The InChIKey is OXZDBMPTWPRLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-8(2)5-3-4-7(6-9)10-8/h7H,3-6,9H2,1-2H3.
What are the key properties of (6,6-dimethyloxan-2-yl)methanamine?
(6,6-dimethyloxan-2-yl)methanamine has a molecular weight of 143.23 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6,6-dimethyloxan-2-yl)methanamine is sourced from PubChem (CID 130172828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).