1,5-dimethoxy-N,3-dimethyloctan-4-amine

C12H27NO2 — CID 116718993

IUPAC1,5-dimethoxy-N,3-dimethyloctan-4-amine
SMILESCCCC(OC)C(NC)C(C)CCOC
InChIInChI=1S/C12H27NO2/c1-6-7-11(15-5)12(13-3)10(2)8-9-14-4/h10-13H,6-9H2,1-5H3
InChIKeyCXPVFBOIRGKGOL-UHFFFAOYSA-N
MW217.35 g/mol
LogP2.06
Rot. Bonds9

About 1,5-dimethoxy-N,3-dimethyloctan-4-amine

1,5-dimethoxy-N,3-dimethyloctan-4-amine (PubChem CID 116718993) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 1,5-dimethoxy-N,3-dimethyloctan-4-amine.

Molecular Properties

Compound Name1,5-dimethoxy-N,3-dimethyloctan-4-amine
PubChem CID116718993
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name1,5-dimethoxy-N,3-dimethyloctan-4-amine
SMILESCCCC(OC)C(NC)C(C)CCOC
InChIInChI=1S/C12H27NO2/c1-6-7-11(15-5)12(13-3)10(2)8-9-14-4/h10-13H,6-9H2,1-5H3
InChIKeyCXPVFBOIRGKGOL-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,5-dimethoxy-N,3,6-trimethylheptan-4-amine
CID 116720146
1,5-dimethoxy-3-methyloctan-4-amine
CID 116718705
1,1-difluoro-5-methoxy-N,3-dimethylpentan-2-amine
CID 103517156
6-methoxy-N,4-dimethyl-2-phenylhexan-3-amine
CID 114029143
1,5-dimethoxy-3-methylheptan-4-amine
CID 116715297
3-methoxy-2-methylhexane
CID 23384964
(5-ethyl-1-methoxy-3-methylheptan-4-yl)hydrazine
CID 105337856
1-methoxy-N,3,6-trimethyloctan-4-amine
CID 105044439
1,3-dimethoxy-N-methylpropan-1-amine
CID 174961293
(2R,4R)-2-methoxy-N,4-dimethylhexan-3-amine
CID 89339327
butyl (3R,4S,5S)-3-methoxy-5-methyl-4-(methylamino)heptanoate;hydrochloride
CID 162120972
4-methoxy-N-methyldecan-5-amine
CID 116718740

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethoxy-N,3-dimethyloctan-4-amine?
The IUPAC name of 1,5-dimethoxy-N,3-dimethyloctan-4-amine (CID 116718993) is 1,5-dimethoxy-N,3-dimethyloctan-4-amine.
What is the SMILES notation for 1,5-dimethoxy-N,3-dimethyloctan-4-amine?
The canonical SMILES for 1,5-dimethoxy-N,3-dimethyloctan-4-amine is CCCC(OC)C(NC)C(C)CCOC.
What is the InChIKey of 1,5-dimethoxy-N,3-dimethyloctan-4-amine?
The InChIKey is CXPVFBOIRGKGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-6-7-11(15-5)12(13-3)10(2)8-9-14-4/h10-13H,6-9H2,1-5H3.
What are the key properties of 1,5-dimethoxy-N,3-dimethyloctan-4-amine?
1,5-dimethoxy-N,3-dimethyloctan-4-amine has a molecular weight of 217.35 g/mol, XLogP of 2.06, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethoxy-N,3-dimethyloctan-4-amine is sourced from PubChem (CID 116718993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).