(5,5-dimethyloxan-2-yl)methanamine

C8H17NO — CID 126818464

IUPAC(5,5-dimethyloxan-2-yl)methanamine
SMILESCC1(C)CCC(CN)OC1
InChIInChI=1S/C8H17NO/c1-8(2)4-3-7(5-9)10-6-8/h7H,3-6,9H2,1-2H3
InChIKeyPQYHDFSCTLZKIO-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.15
Rot. Bonds1

About (5,5-dimethyloxan-2-yl)methanamine

(5,5-dimethyloxan-2-yl)methanamine (PubChem CID 126818464) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (5,5-dimethyloxan-2-yl)methanamine.

Molecular Properties

Compound Name(5,5-dimethyloxan-2-yl)methanamine
PubChem CID126818464
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(5,5-dimethyloxan-2-yl)methanamine
SMILESCC1(C)CCC(CN)OC1
InChIInChI=1S/C8H17NO/c1-8(2)4-3-7(5-9)10-6-8/h7H,3-6,9H2,1-2H3
InChIKeyPQYHDFSCTLZKIO-UHFFFAOYSA-N
XLogP1.15
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 ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,3-Dimethyloxan-2-yl)methanamine hydrochloride
CID 138027444
2-(2-Methyloxan-4-yl)ethan-1-amine
CID 64137442
2-Methyl-2-(oxan-2-yl)propan-1-amine
CID 71756037
2-(3-Methyloxan-3-yl)ethan-1-amine
CID 83815189
(5,5-Dimethyloxan-2-yl)methanamine hydrochloride
CID 126818463
(6,6-Dimethyloxan-2-yl)methanamine
CID 130172828
2-(4,4-Dimethyloxolan-2-yl)ethan-1-amine
CID 132327767
2-(5,5-Dimethyloxan-2-yl)ethan-1-amine
CID 132342225
2-(3,3-Dimethyloxan-2-yl)ethan-1-amine hydrochloride
CID 138040783
rac-[(2R,5S)-5-methyloxan-2-yl]methanamine hydrochloride
CID 139026481
1-(7-Oxaspiro(3.5)nonan-6-yl)methanamine hydrochloride
CID 154814521
(6-Oxaspiro[2.5]octan-5-yl)methanamine hydrochloride
CID 177801497

Frequently Asked Questions

What is the IUPAC name of (5,5-dimethyloxan-2-yl)methanamine?
The IUPAC name of (5,5-dimethyloxan-2-yl)methanamine (CID 126818464) is (5,5-dimethyloxan-2-yl)methanamine.
What is the SMILES notation for (5,5-dimethyloxan-2-yl)methanamine?
The canonical SMILES for (5,5-dimethyloxan-2-yl)methanamine is CC1(C)CCC(CN)OC1.
What is the InChIKey of (5,5-dimethyloxan-2-yl)methanamine?
The InChIKey is PQYHDFSCTLZKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-8(2)4-3-7(5-9)10-6-8/h7H,3-6,9H2,1-2H3.
What are the key properties of (5,5-dimethyloxan-2-yl)methanamine?
(5,5-dimethyloxan-2-yl)methanamine has a molecular weight of 143.23 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5,5-dimethyloxan-2-yl)methanamine is sourced from PubChem (CID 126818464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).