(3,3-dimethyloxan-2-yl)methanamine

C8H17NO — CID 138027445

IUPAC(3,3-dimethyloxan-2-yl)methanamine
SMILESCC1(C)CCCOC1CN
InChIInChI=1S/C8H17NO/c1-8(2)4-3-5-10-7(8)6-9/h7H,3-6,9H2,1-2H3
InChIKeyPEQOMYIKULRRQY-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.15
Rot. Bonds1

About (3,3-dimethyloxan-2-yl)methanamine

(3,3-dimethyloxan-2-yl)methanamine (PubChem CID 138027445) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (3,3-dimethyloxan-2-yl)methanamine.

Molecular Properties

Compound Name(3,3-dimethyloxan-2-yl)methanamine
PubChem CID138027445
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(3,3-dimethyloxan-2-yl)methanamine
SMILESCC1(C)CCCOC1CN
InChIInChI=1S/C8H17NO/c1-8(2)4-3-5-10-7(8)6-9/h7H,3-6,9H2,1-2H3
InChIKeyPEQOMYIKULRRQY-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

(2,6-Dimethyloxan-4-yl)methanamine
CID 81852973
(3,3-Dimethyloxan-2-yl)methanamine hydrochloride
CID 138027444
2-(2-Methyloxan-4-yl)ethan-1-amine
CID 64137442
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-(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
1-{6-Oxaspiro[2.5]octan-5-yl}methanamine hydrochloride
CID 177801497
2-[3-(1-Fluoroethyl)oxan-3-yl]ethanamine
CID 115014539

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethyloxan-2-yl)methanamine?
The IUPAC name of (3,3-dimethyloxan-2-yl)methanamine (CID 138027445) is (3,3-dimethyloxan-2-yl)methanamine.
What is the SMILES notation for (3,3-dimethyloxan-2-yl)methanamine?
The canonical SMILES for (3,3-dimethyloxan-2-yl)methanamine is CC1(C)CCCOC1CN.
What is the InChIKey of (3,3-dimethyloxan-2-yl)methanamine?
The InChIKey is PEQOMYIKULRRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-8(2)4-3-5-10-7(8)6-9/h7H,3-6,9H2,1-2H3.
What are the key properties of (3,3-dimethyloxan-2-yl)methanamine?
(3,3-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 (3,3-dimethyloxan-2-yl)methanamine is sourced from PubChem (CID 138027445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).