(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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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).