5-methoxy-2,2,5-trimethylhexan-3-amine

C10H23NO — CID 103027041

IUPAC5-methoxy-2,2,5-trimethylhexan-3-amine
SMILESCOC(C)(C)CC(N)C(C)(C)C
InChIInChI=1S/C10H23NO/c1-9(2,3)8(11)7-10(4,5)12-6/h8H,7,11H2,1-6H3
InChIKeyHTRNPPHJXNGHMR-UHFFFAOYSA-N
MW173.30 g/mol
LogP2.17
Rot. Bonds3

About 5-methoxy-2,2,5-trimethylhexan-3-amine

5-methoxy-2,2,5-trimethylhexan-3-amine (PubChem CID 103027041) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 5-methoxy-2,2,5-trimethylhexan-3-amine.

Molecular Properties

Compound Name5-methoxy-2,2,5-trimethylhexan-3-amine
PubChem CID103027041
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name5-methoxy-2,2,5-trimethylhexan-3-amine
SMILESCOC(C)(C)CC(N)C(C)(C)C
InChIInChI=1S/C10H23NO/c1-9(2,3)8(11)7-10(4,5)12-6/h8H,7,11H2,1-6H3
InChIKeyHTRNPPHJXNGHMR-UHFFFAOYSA-N
XLogP2.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2,2,5-trimethylhexan-3-amine?
The IUPAC name of 5-methoxy-2,2,5-trimethylhexan-3-amine (CID 103027041) is 5-methoxy-2,2,5-trimethylhexan-3-amine.
What is the SMILES notation for 5-methoxy-2,2,5-trimethylhexan-3-amine?
The canonical SMILES for 5-methoxy-2,2,5-trimethylhexan-3-amine is COC(C)(C)CC(N)C(C)(C)C.
What is the InChIKey of 5-methoxy-2,2,5-trimethylhexan-3-amine?
The InChIKey is HTRNPPHJXNGHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-9(2,3)8(11)7-10(4,5)12-6/h8H,7,11H2,1-6H3.
What are the key properties of 5-methoxy-2,2,5-trimethylhexan-3-amine?
5-methoxy-2,2,5-trimethylhexan-3-amine has a molecular weight of 173.30 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2,2,5-trimethylhexan-3-amine is sourced from PubChem (CID 103027041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).