7-methoxy-2,3,7-trimethyloctan-4-amine

C12H27NO — CID 103031264

IUPAC7-methoxy-2,3,7-trimethyloctan-4-amine
SMILESCOC(C)(C)CCC(N)C(C)C(C)C
InChIInChI=1S/C12H27NO/c1-9(2)10(3)11(13)7-8-12(4,5)14-6/h9-11H,7-8,13H2,1-6H3
InChIKeyWCEGCZROZQXRFQ-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.81
Rot. Bonds6

About 7-methoxy-2,3,7-trimethyloctan-4-amine

7-methoxy-2,3,7-trimethyloctan-4-amine (PubChem CID 103031264) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 7-methoxy-2,3,7-trimethyloctan-4-amine.

Molecular Properties

Compound Name7-methoxy-2,3,7-trimethyloctan-4-amine
PubChem CID103031264
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name7-methoxy-2,3,7-trimethyloctan-4-amine
SMILESCOC(C)(C)CCC(N)C(C)C(C)C
InChIInChI=1S/C12H27NO/c1-9(2)10(3)11(13)7-8-12(4,5)14-6/h9-11H,7-8,13H2,1-6H3
InChIKeyWCEGCZROZQXRFQ-UHFFFAOYSA-N
XLogP2.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2,3,7-trimethyloctan-4-amine?
The IUPAC name of 7-methoxy-2,3,7-trimethyloctan-4-amine (CID 103031264) is 7-methoxy-2,3,7-trimethyloctan-4-amine.
What is the SMILES notation for 7-methoxy-2,3,7-trimethyloctan-4-amine?
The canonical SMILES for 7-methoxy-2,3,7-trimethyloctan-4-amine is COC(C)(C)CCC(N)C(C)C(C)C.
What is the InChIKey of 7-methoxy-2,3,7-trimethyloctan-4-amine?
The InChIKey is WCEGCZROZQXRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-9(2)10(3)11(13)7-8-12(4,5)14-6/h9-11H,7-8,13H2,1-6H3.
What are the key properties of 7-methoxy-2,3,7-trimethyloctan-4-amine?
7-methoxy-2,3,7-trimethyloctan-4-amine has a molecular weight of 201.35 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2,3,7-trimethyloctan-4-amine is sourced from PubChem (CID 103031264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).