1,7-dimethoxy-N,2,5-trimethylheptan-4-amine

C12H27NO2 — CID 105185179

IUPAC1,7-dimethoxy-N,2,5-trimethylheptan-4-amine
SMILESCNC(CC(C)COC)C(C)CCOC
InChIInChI=1S/C12H27NO2/c1-10(9-15-5)8-12(13-3)11(2)6-7-14-4/h10-13H,6-9H2,1-5H3
InChIKeyXQAVZTUKTUJFQB-UHFFFAOYSA-N
MW217.35 g/mol
LogP1.92
Rot. Bonds9

About 1,7-dimethoxy-N,2,5-trimethylheptan-4-amine

1,7-dimethoxy-N,2,5-trimethylheptan-4-amine (PubChem CID 105185179) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 1,7-dimethoxy-N,2,5-trimethylheptan-4-amine.

Molecular Properties

Compound Name1,7-dimethoxy-N,2,5-trimethylheptan-4-amine
PubChem CID105185179
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name1,7-dimethoxy-N,2,5-trimethylheptan-4-amine
SMILESCNC(CC(C)COC)C(C)CCOC
InChIInChI=1S/C12H27NO2/c1-10(9-15-5)8-12(13-3)11(2)6-7-14-4/h10-13H,6-9H2,1-5H3
InChIKeyXQAVZTUKTUJFQB-UHFFFAOYSA-N
XLogP1.92
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-N,3,6-trimethyloctan-4-amine
CID 105044439
7-methoxy-N,5-dimethylhept-1-en-4-amine
CID 116660673
1-methoxy-N,2,6-trimethylnonan-4-amine
CID 105138093
1-methoxy-N,2,7-trimethyloctan-4-amine
CID 105127267
1,4-dimethoxy-2-N,3-N-dimethylbutane-2,3-diamine
CID 163765545
1-methoxy-N,2,6-trimethyloctan-4-amine
CID 105138500
8-methoxy-N,4-dimethyloctan-3-amine
CID 104648384
N-ethyl-6-methoxy-4-methylhexan-3-amine
CID 63561367
1,1-difluoro-5-methoxy-N,3-dimethylpentan-2-amine
CID 103517156
1-methoxy-2,4,5-trimethylheptane
CID 177138936
1-[2-(2-methoxyethoxy)ethoxy]-N,3-dimethylpentan-2-amine
CID 104560721
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N,3-dimethylpentan-2-amine
CID 104560546

Frequently Asked Questions

What is the IUPAC name of 1,7-dimethoxy-N,2,5-trimethylheptan-4-amine?
The IUPAC name of 1,7-dimethoxy-N,2,5-trimethylheptan-4-amine (CID 105185179) is 1,7-dimethoxy-N,2,5-trimethylheptan-4-amine.
What is the SMILES notation for 1,7-dimethoxy-N,2,5-trimethylheptan-4-amine?
The canonical SMILES for 1,7-dimethoxy-N,2,5-trimethylheptan-4-amine is CNC(CC(C)COC)C(C)CCOC.
What is the InChIKey of 1,7-dimethoxy-N,2,5-trimethylheptan-4-amine?
The InChIKey is XQAVZTUKTUJFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-10(9-15-5)8-12(13-3)11(2)6-7-14-4/h10-13H,6-9H2,1-5H3.
What are the key properties of 1,7-dimethoxy-N,2,5-trimethylheptan-4-amine?
1,7-dimethoxy-N,2,5-trimethylheptan-4-amine has a molecular weight of 217.35 g/mol, XLogP of 1.92, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethoxy-N,2,5-trimethylheptan-4-amine is sourced from PubChem (CID 105185179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).