2,4,5-trimethyloxan-3-amine

C8H17NO — CID 146642330

IUPAC2,4,5-trimethyloxan-3-amine
SMILESCC1COC(C)C(N)C1C
InChIInChI=1S/C8H17NO/c1-5-4-10-7(3)8(9)6(5)2/h5-8H,4,9H2,1-3H3
InChIKeyPGOXKJXNEDQLDD-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.00
Rot. Bonds

About 2,4,5-trimethyloxan-3-amine

2,4,5-trimethyloxan-3-amine (PubChem CID 146642330) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 2,4,5-trimethyloxan-3-amine.

Molecular Properties

Compound Name2,4,5-trimethyloxan-3-amine
PubChem CID146642330
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name2,4,5-trimethyloxan-3-amine
SMILESCC1COC(C)C(N)C1C
InChIInChI=1S/C8H17NO/c1-5-4-10-7(3)8(9)6(5)2/h5-8H,4,9H2,1-3H3
InChIKeyPGOXKJXNEDQLDD-UHFFFAOYSA-N
XLogP1.00
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 ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyloxan-3-amine?
The IUPAC name of 2,4,5-trimethyloxan-3-amine (CID 146642330) is 2,4,5-trimethyloxan-3-amine.
What is the SMILES notation for 2,4,5-trimethyloxan-3-amine?
The canonical SMILES for 2,4,5-trimethyloxan-3-amine is CC1COC(C)C(N)C1C.
What is the InChIKey of 2,4,5-trimethyloxan-3-amine?
The InChIKey is PGOXKJXNEDQLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-5-4-10-7(3)8(9)6(5)2/h5-8H,4,9H2,1-3H3.
What are the key properties of 2,4,5-trimethyloxan-3-amine?
2,4,5-trimethyloxan-3-amine has a molecular weight of 143.23 g/mol, XLogP of 1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyloxan-3-amine is sourced from PubChem (CID 146642330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).