3-methoxy-2,2-dimethyloctan-4-amine

C11H25NO — CID 116724229

IUPAC3-methoxy-2,2-dimethyloctan-4-amine
SMILESCCCCC(N)C(OC)C(C)(C)C
InChIInChI=1S/C11H25NO/c1-6-7-8-9(12)10(13-5)11(2,3)4/h9-10H,6-8,12H2,1-5H3
InChIKeyMIIPLBQFRRPPLH-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.57
Rot. Bonds5

About 3-methoxy-2,2-dimethyloctan-4-amine

3-methoxy-2,2-dimethyloctan-4-amine (PubChem CID 116724229) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 3-methoxy-2,2-dimethyloctan-4-amine.

Molecular Properties

Compound Name3-methoxy-2,2-dimethyloctan-4-amine
PubChem CID116724229
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name3-methoxy-2,2-dimethyloctan-4-amine
SMILESCCCCC(N)C(OC)C(C)(C)C
InChIInChI=1S/C11H25NO/c1-6-7-8-9(12)10(13-5)11(2,3)4/h9-10H,6-8,12H2,1-5H3
InChIKeyMIIPLBQFRRPPLH-UHFFFAOYSA-N
XLogP2.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methoxy-2,2-dimethyloctan-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

(3S)-4-methoxy-5,5-dimethylhexan-3-amine
CID 104932286
1,1-dimethoxyheptan-2-amine
CID 79492627
1-cyclopropyl-3-methoxy-4,4-dimethylpentan-2-amine
CID 116724204
(3R,4R)-3-methoxy-2,2,4-trimethylhexane
CID 177079402
1-chlorohexane-1,2-diamine
CID 151875829
3-ethoxy-2,2-dimethyloctan-4-ol
CID 116713329
(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxyheptan-3-amine
CID 15632282
hexadecane-6,7-diamine
CID 57245820
3-ethoxy-2,2,7-trimethyloctan-4-amine
CID 116725152
hexatriacontane-18,19-diamine
CID 57054547
tritriacontane-16,17-diamine
CID 57106039
(3R)-2-methylundecan-3-amine
CID 167260316

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2,2-dimethyloctan-4-amine?
The IUPAC name of 3-methoxy-2,2-dimethyloctan-4-amine (CID 116724229) is 3-methoxy-2,2-dimethyloctan-4-amine.
What is the SMILES notation for 3-methoxy-2,2-dimethyloctan-4-amine?
The canonical SMILES for 3-methoxy-2,2-dimethyloctan-4-amine is CCCCC(N)C(OC)C(C)(C)C.
What is the InChIKey of 3-methoxy-2,2-dimethyloctan-4-amine?
The InChIKey is MIIPLBQFRRPPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-6-7-8-9(12)10(13-5)11(2,3)4/h9-10H,6-8,12H2,1-5H3.
What are the key properties of 3-methoxy-2,2-dimethyloctan-4-amine?
3-methoxy-2,2-dimethyloctan-4-amine has a molecular weight of 187.33 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2,2-dimethyloctan-4-amine is sourced from PubChem (CID 116724229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).