7-methoxy-4,7-dimethyloctan-2-amine

C11H25NO — CID 103037555

IUPAC7-methoxy-4,7-dimethyloctan-2-amine
SMILESCOC(C)(C)CCC(C)CC(C)N
InChIInChI=1S/C11H25NO/c1-9(8-10(2)12)6-7-11(3,4)13-5/h9-10H,6-8,12H2,1-5H3
InChIKeySVWUHPXFTNKPLQ-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.57
Rot. Bonds6

About 7-methoxy-4,7-dimethyloctan-2-amine

7-methoxy-4,7-dimethyloctan-2-amine (PubChem CID 103037555) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 7-methoxy-4,7-dimethyloctan-2-amine.

Molecular Properties

Compound Name7-methoxy-4,7-dimethyloctan-2-amine
PubChem CID103037555
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name7-methoxy-4,7-dimethyloctan-2-amine
SMILESCOC(C)(C)CCC(C)CC(C)N
InChIInChI=1S/C11H25NO/c1-9(8-10(2)12)6-7-11(3,4)13-5/h9-10H,6-8,12H2,1-5H3
InChIKeySVWUHPXFTNKPLQ-UHFFFAOYSA-N
XLogP2.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4,7-dimethyloctan-2-amine?
The IUPAC name of 7-methoxy-4,7-dimethyloctan-2-amine (CID 103037555) is 7-methoxy-4,7-dimethyloctan-2-amine.
What is the SMILES notation for 7-methoxy-4,7-dimethyloctan-2-amine?
The canonical SMILES for 7-methoxy-4,7-dimethyloctan-2-amine is COC(C)(C)CCC(C)CC(C)N.
What is the InChIKey of 7-methoxy-4,7-dimethyloctan-2-amine?
The InChIKey is SVWUHPXFTNKPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-9(8-10(2)12)6-7-11(3,4)13-5/h9-10H,6-8,12H2,1-5H3.
What are the key properties of 7-methoxy-4,7-dimethyloctan-2-amine?
7-methoxy-4,7-dimethyloctan-2-amine has a molecular weight of 187.33 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4,7-dimethyloctan-2-amine is sourced from PubChem (CID 103037555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).