1,5-dimethoxy-N,3,6-trimethylheptan-4-amine

C12H27NO2 — CID 116720146

IUPAC1,5-dimethoxy-N,3,6-trimethylheptan-4-amine
SMILESCNC(C(C)CCOC)C(OC)C(C)C
InChIInChI=1S/C12H27NO2/c1-9(2)12(15-6)11(13-4)10(3)7-8-14-5/h9-13H,7-8H2,1-6H3
InChIKeyKDEKKUNXENYEIN-UHFFFAOYSA-N
MW217.35 g/mol
LogP1.92
Rot. Bonds8

About 1,5-dimethoxy-N,3,6-trimethylheptan-4-amine

1,5-dimethoxy-N,3,6-trimethylheptan-4-amine (PubChem CID 116720146) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 1,5-dimethoxy-N,3,6-trimethylheptan-4-amine.

Molecular Properties

Compound Name1,5-dimethoxy-N,3,6-trimethylheptan-4-amine
PubChem CID116720146
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name1,5-dimethoxy-N,3,6-trimethylheptan-4-amine
SMILESCNC(C(C)CCOC)C(OC)C(C)C
InChIInChI=1S/C12H27NO2/c1-9(2)12(15-6)11(13-4)10(3)7-8-14-5/h9-13H,7-8H2,1-6H3
InChIKeyKDEKKUNXENYEIN-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,5-dimethoxy-N,3,6-trimethylheptan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1-difluoro-5-methoxy-N,3-dimethylpentan-2-amine
CID 103517156
1,5-dimethoxy-N,3-dimethyloctan-4-amine
CID 116718993
5-ethyl-3-methoxy-N,2-dimethylheptan-4-amine
CID 116720118
6-methoxy-N,4-dimethyl-2-phenylhexan-3-amine
CID 114029143
tert-butyl N-[7-methoxy-2,5-dimethyl-4-(methylamino)heptan-3-yl]carbamate
CID 165340175
1,3-dimethoxy-N-methylpropan-1-amine
CID 174961293
1,7-dimethoxy-N,2,5-trimethylheptan-4-amine
CID 105185179
(5-ethyl-1-methoxy-3-methylheptan-4-yl)hydrazine
CID 105337856
3-methoxy-N,2-dimethylheptan-4-amine
CID 116719993
1-methoxy-N,3,6-trimethyloctan-4-amine
CID 105044439
7-methoxy-N,5-dimethylhept-1-en-4-amine
CID 116660673
(2S)-4-methoxy-2-(methylamino)butanal
CID 145050464

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethoxy-N,3,6-trimethylheptan-4-amine?
The IUPAC name of 1,5-dimethoxy-N,3,6-trimethylheptan-4-amine (CID 116720146) is 1,5-dimethoxy-N,3,6-trimethylheptan-4-amine.
What is the SMILES notation for 1,5-dimethoxy-N,3,6-trimethylheptan-4-amine?
The canonical SMILES for 1,5-dimethoxy-N,3,6-trimethylheptan-4-amine is CNC(C(C)CCOC)C(OC)C(C)C.
What is the InChIKey of 1,5-dimethoxy-N,3,6-trimethylheptan-4-amine?
The InChIKey is KDEKKUNXENYEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-9(2)12(15-6)11(13-4)10(3)7-8-14-5/h9-13H,7-8H2,1-6H3.
What are the key properties of 1,5-dimethoxy-N,3,6-trimethylheptan-4-amine?
1,5-dimethoxy-N,3,6-trimethylheptan-4-amine has a molecular weight of 217.35 g/mol, XLogP of 1.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethoxy-N,3,6-trimethylheptan-4-amine is sourced from PubChem (CID 116720146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).