2,4,6-trimethyloxan-4-amine

C8H17NO — CID 18437324

IUPAC2,4,6-trimethyloxan-4-amine
SMILESCC1CC(C)(N)CC(C)O1
InChIInChI=1S/C8H17NO/c1-6-4-8(3,9)5-7(2)10-6/h6-7H,4-5,9H2,1-3H3
InChIKeyWMIIHGCHQJIYTR-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.29
Rot. Bonds

About 2,4,6-trimethyloxan-4-amine

2,4,6-trimethyloxan-4-amine (PubChem CID 18437324) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 2,4,6-trimethyloxan-4-amine.

Molecular Properties

Compound Name2,4,6-trimethyloxan-4-amine
PubChem CID18437324
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name2,4,6-trimethyloxan-4-amine
SMILESCC1CC(C)(N)CC(C)O1
InChIInChI=1S/C8H17NO/c1-6-4-8(3,9)5-7(2)10-6/h6-7H,4-5,9H2,1-3H3
InChIKeyWMIIHGCHQJIYTR-UHFFFAOYSA-N
XLogP1.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
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 2,4,6-trimethyloxan-4-amine?
The IUPAC name of 2,4,6-trimethyloxan-4-amine (CID 18437324) is 2,4,6-trimethyloxan-4-amine.
What is the SMILES notation for 2,4,6-trimethyloxan-4-amine?
The canonical SMILES for 2,4,6-trimethyloxan-4-amine is CC1CC(C)(N)CC(C)O1.
What is the InChIKey of 2,4,6-trimethyloxan-4-amine?
The InChIKey is WMIIHGCHQJIYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-6-4-8(3,9)5-7(2)10-6/h6-7H,4-5,9H2,1-3H3.
What are the key properties of 2,4,6-trimethyloxan-4-amine?
2,4,6-trimethyloxan-4-amine has a molecular weight of 143.23 g/mol, XLogP of 1.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyloxan-4-amine is sourced from PubChem (CID 18437324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).