1,5-dimethoxy-3-methylheptan-4-amine

C10H23NO2 — CID 116715297

IUPAC1,5-dimethoxy-3-methylheptan-4-amine
SMILESCCC(OC)C(N)C(C)CCOC
InChIInChI=1S/C10H23NO2/c1-5-9(13-4)10(11)8(2)6-7-12-3/h8-10H,5-7,11H2,1-4H3
InChIKeyLYLABPXPPDHRIG-UHFFFAOYSA-N
MW189.30 g/mol
LogP1.41
Rot. Bonds7

About 1,5-dimethoxy-3-methylheptan-4-amine

1,5-dimethoxy-3-methylheptan-4-amine (PubChem CID 116715297) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 1,5-dimethoxy-3-methylheptan-4-amine.

Molecular Properties

Compound Name1,5-dimethoxy-3-methylheptan-4-amine
PubChem CID116715297
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name1,5-dimethoxy-3-methylheptan-4-amine
SMILESCCC(OC)C(N)C(C)CCOC
InChIInChI=1S/C10H23NO2/c1-5-9(13-4)10(11)8(2)6-7-12-3/h8-10H,5-7,11H2,1-4H3
InChIKeyLYLABPXPPDHRIG-UHFFFAOYSA-N
XLogP1.41
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,5-dimethoxy-3-methyloctan-4-amine
CID 116718705
1-methoxy-3,6-dimethyloctan-4-amine
CID 105044592
3-ethyl-5-methoxypentan-2-amine
CID 61000817
1,5-dimethoxy-N,3-dimethyloctan-4-amine
CID 116718993
(4S)-4-amino-3-methoxy-5-methylheptanal
CID 167113955
(3S)-1,2,3-trimethoxypentane
CID 167509153
(5-ethyl-1-methoxy-3-methylheptan-4-yl)hydrazine
CID 105337856
(1-methoxy-4-methylhexan-3-yl)hydrazine
CID 105206462
1,1,1-trifluoro-5-methoxy-3-methylpentan-2-amine
CID 105044294
(3S,4R,5S,6R)-3,4,5,6-tetramethoxyoctane
CID 59693568
7-ethoxy-1-methoxy-3-methylheptan-4-amine
CID 105185117
1-methoxy-3-methylbutane;2-methylbutane;2-methylpropane
CID 158816620

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethoxy-3-methylheptan-4-amine?
The IUPAC name of 1,5-dimethoxy-3-methylheptan-4-amine (CID 116715297) is 1,5-dimethoxy-3-methylheptan-4-amine.
What is the SMILES notation for 1,5-dimethoxy-3-methylheptan-4-amine?
The canonical SMILES for 1,5-dimethoxy-3-methylheptan-4-amine is CCC(OC)C(N)C(C)CCOC.
What is the InChIKey of 1,5-dimethoxy-3-methylheptan-4-amine?
The InChIKey is LYLABPXPPDHRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2/c1-5-9(13-4)10(11)8(2)6-7-12-3/h8-10H,5-7,11H2,1-4H3.
What are the key properties of 1,5-dimethoxy-3-methylheptan-4-amine?
1,5-dimethoxy-3-methylheptan-4-amine has a molecular weight of 189.30 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethoxy-3-methylheptan-4-amine is sourced from PubChem (CID 116715297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).