1,6-dimethoxy-N,3,6-trimethylheptan-4-amine

C12H27NO2 — CID 103029405

IUPAC1,6-dimethoxy-N,3,6-trimethylheptan-4-amine
SMILESCNC(CC(C)(C)OC)C(C)CCOC
InChIInChI=1S/C12H27NO2/c1-10(7-8-14-5)11(13-4)9-12(2,3)15-6/h10-11,13H,7-9H2,1-6H3
InChIKeySEJRTBXOWGGMEE-UHFFFAOYSA-N
MW217.35 g/mol
LogP2.06
Rot. Bonds8

About 1,6-dimethoxy-N,3,6-trimethylheptan-4-amine

1,6-dimethoxy-N,3,6-trimethylheptan-4-amine (PubChem CID 103029405) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 1,6-dimethoxy-N,3,6-trimethylheptan-4-amine.

Molecular Properties

Compound Name1,6-dimethoxy-N,3,6-trimethylheptan-4-amine
PubChem CID103029405
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name1,6-dimethoxy-N,3,6-trimethylheptan-4-amine
SMILESCNC(CC(C)(C)OC)C(C)CCOC
InChIInChI=1S/C12H27NO2/c1-10(7-8-14-5)11(13-4)9-12(2,3)15-6/h10-11,13H,7-9H2,1-6H3
InChIKeySEJRTBXOWGGMEE-UHFFFAOYSA-N
XLogP2.06
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethoxy-N,3,6-trimethylheptan-4-amine?
The IUPAC name of 1,6-dimethoxy-N,3,6-trimethylheptan-4-amine (CID 103029405) is 1,6-dimethoxy-N,3,6-trimethylheptan-4-amine.
What is the SMILES notation for 1,6-dimethoxy-N,3,6-trimethylheptan-4-amine?
The canonical SMILES for 1,6-dimethoxy-N,3,6-trimethylheptan-4-amine is CNC(CC(C)(C)OC)C(C)CCOC.
What is the InChIKey of 1,6-dimethoxy-N,3,6-trimethylheptan-4-amine?
The InChIKey is SEJRTBXOWGGMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-10(7-8-14-5)11(13-4)9-12(2,3)15-6/h10-11,13H,7-9H2,1-6H3.
What are the key properties of 1,6-dimethoxy-N,3,6-trimethylheptan-4-amine?
1,6-dimethoxy-N,3,6-trimethylheptan-4-amine has a molecular weight of 217.35 g/mol, XLogP of 2.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethoxy-N,3,6-trimethylheptan-4-amine is sourced from PubChem (CID 103029405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).