3-(2-ethyl-3-methoxy-3-methylbutoxy)-3-methylbutan-2-amine

C13H29NO2 — CID 130307468

IUPAC3-(2-ethyl-3-methoxy-3-methylbutoxy)-3-methylbutan-2-amine
SMILESCCC(COC(C)(C)C(C)N)C(C)(C)OC
InChIInChI=1S/C13H29NO2/c1-8-11(13(5,6)15-7)9-16-12(3,4)10(2)14/h10-11H,8-9,14H2,1-7H3
InChIKeyTWAVPUKUBSYQNN-UHFFFAOYSA-N
MW231.38 g/mol
LogP2.58
Rot. Bonds7

About 3-(2-ethyl-3-methoxy-3-methylbutoxy)-3-methylbutan-2-amine

3-(2-ethyl-3-methoxy-3-methylbutoxy)-3-methylbutan-2-amine (PubChem CID 130307468) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is 3-(2-ethyl-3-methoxy-3-methylbutoxy)-3-methylbutan-2-amine.

Molecular Properties

Compound Name3-(2-ethyl-3-methoxy-3-methylbutoxy)-3-methylbutan-2-amine
PubChem CID130307468
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC Name3-(2-ethyl-3-methoxy-3-methylbutoxy)-3-methylbutan-2-amine
SMILESCCC(COC(C)(C)C(C)N)C(C)(C)OC
InChIInChI=1S/C13H29NO2/c1-8-11(13(5,6)15-7)9-16-12(3,4)10(2)14/h10-11H,8-9,14H2,1-7H3
InChIKeyTWAVPUKUBSYQNN-UHFFFAOYSA-N
XLogP2.58
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2-ethyl-3-methoxy-3-methylbutoxy)-3-methylbutan-2-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

3-methoxy-3-methylpentan-2-amine
CID 116757359
1,3-dimethoxy-3-methylbutan-2-amine
CID 79569539
(2S)-1-[(2-methylpropan-2-yl)oxy]butan-2-amine;hydrochloride
CID 155820922
1-(2-methoxybutan-2-yloxy)butan-2-amine
CID 137419185
(2-methoxy-2-methylpentan-3-yl)hydrazine
CID 105245393
3-methoxy-3-methyl-1-propan-2-yloxypentan-2-amine
CID 116757416
1-(2,3-dimethylpentan-2-yloxy)propan-2-ol
CID 142712435
2-methoxy-N,2,4-trimethylhexan-3-amine
CID 79443902
1-(2,3,5-trimethylheptan-2-yloxy)propan-2-ol
CID 142712581
2-(2-methoxypropan-2-yl)decan-1-amine
CID 150082412
1-[2-(2-aminopropoxy)propan-2-yloxy]butan-2-amine
CID 166955876
2-[2-(3-amino-2-methylbutan-2-yl)oxyethylamino]ethanol
CID 87214364

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-3-methoxy-3-methylbutoxy)-3-methylbutan-2-amine?
The IUPAC name of 3-(2-ethyl-3-methoxy-3-methylbutoxy)-3-methylbutan-2-amine (CID 130307468) is 3-(2-ethyl-3-methoxy-3-methylbutoxy)-3-methylbutan-2-amine.
What is the SMILES notation for 3-(2-ethyl-3-methoxy-3-methylbutoxy)-3-methylbutan-2-amine?
The canonical SMILES for 3-(2-ethyl-3-methoxy-3-methylbutoxy)-3-methylbutan-2-amine is CCC(COC(C)(C)C(C)N)C(C)(C)OC.
What is the InChIKey of 3-(2-ethyl-3-methoxy-3-methylbutoxy)-3-methylbutan-2-amine?
The InChIKey is TWAVPUKUBSYQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2/c1-8-11(13(5,6)15-7)9-16-12(3,4)10(2)14/h10-11H,8-9,14H2,1-7H3.
What are the key properties of 3-(2-ethyl-3-methoxy-3-methylbutoxy)-3-methylbutan-2-amine?
3-(2-ethyl-3-methoxy-3-methylbutoxy)-3-methylbutan-2-amine has a molecular weight of 231.38 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-3-methoxy-3-methylbutoxy)-3-methylbutan-2-amine is sourced from PubChem (CID 130307468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).