6-methoxy-N,2,4,6-tetramethylheptan-3-amine

C12H27NO — CID 79298294

IUPAC6-methoxy-N,2,4,6-tetramethylheptan-3-amine
SMILESCNC(C(C)C)C(C)CC(C)(C)OC
InChIInChI=1S/C12H27NO/c1-9(2)11(13-6)10(3)8-12(4,5)14-7/h9-11,13H,8H2,1-7H3
InChIKeyYAINIWNFPDEUDN-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.68
Rot. Bonds6

About 6-methoxy-N,2,4,6-tetramethylheptan-3-amine

6-methoxy-N,2,4,6-tetramethylheptan-3-amine (PubChem CID 79298294) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 6-methoxy-N,2,4,6-tetramethylheptan-3-amine.

Molecular Properties

Compound Name6-methoxy-N,2,4,6-tetramethylheptan-3-amine
PubChem CID79298294
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name6-methoxy-N,2,4,6-tetramethylheptan-3-amine
SMILESCNC(C(C)C)C(C)CC(C)(C)OC
InChIInChI=1S/C12H27NO/c1-9(2)11(13-6)10(3)8-12(4,5)14-7/h9-11,13H,8H2,1-7H3
InChIKeyYAINIWNFPDEUDN-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N,2,4,6-tetramethylheptan-3-amine?
The IUPAC name of 6-methoxy-N,2,4,6-tetramethylheptan-3-amine (CID 79298294) is 6-methoxy-N,2,4,6-tetramethylheptan-3-amine.
What is the SMILES notation for 6-methoxy-N,2,4,6-tetramethylheptan-3-amine?
The canonical SMILES for 6-methoxy-N,2,4,6-tetramethylheptan-3-amine is CNC(C(C)C)C(C)CC(C)(C)OC.
What is the InChIKey of 6-methoxy-N,2,4,6-tetramethylheptan-3-amine?
The InChIKey is YAINIWNFPDEUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-9(2)11(13-6)10(3)8-12(4,5)14-7/h9-11,13H,8H2,1-7H3.
What are the key properties of 6-methoxy-N,2,4,6-tetramethylheptan-3-amine?
6-methoxy-N,2,4,6-tetramethylheptan-3-amine has a molecular weight of 201.35 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N,2,4,6-tetramethylheptan-3-amine is sourced from PubChem (CID 79298294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).