3-ethoxy-5-ethyl-2,2-dimethylheptan-4-amine

C13H29NO — CID 116725378

IUPAC3-ethoxy-5-ethyl-2,2-dimethylheptan-4-amine
SMILESCCOC(C(N)C(CC)CC)C(C)(C)C
InChIInChI=1S/C13H29NO/c1-7-10(8-2)11(14)12(15-9-3)13(4,5)6/h10-12H,7-9,14H2,1-6H3
InChIKeyJAFGIRJHRVVZSZ-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.20
Rot. Bonds6

About 3-ethoxy-5-ethyl-2,2-dimethylheptan-4-amine

3-ethoxy-5-ethyl-2,2-dimethylheptan-4-amine (PubChem CID 116725378) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 3-ethoxy-5-ethyl-2,2-dimethylheptan-4-amine.

Molecular Properties

Compound Name3-ethoxy-5-ethyl-2,2-dimethylheptan-4-amine
PubChem CID116725378
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name3-ethoxy-5-ethyl-2,2-dimethylheptan-4-amine
SMILESCCOC(C(N)C(CC)CC)C(C)(C)C
InChIInChI=1S/C13H29NO/c1-7-10(8-2)11(14)12(15-9-3)13(4,5)6/h10-12H,7-9,14H2,1-6H3
InChIKeyJAFGIRJHRVVZSZ-UHFFFAOYSA-N
XLogP3.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-ethoxy-5-ethyl-2,2-dimethylheptan-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

3-ethoxy-2,2,5-trimethylheptan-4-amine
CID 116725356
(3S)-4-ethoxy-5,5-dimethylhexan-3-amine
CID 104932287
3-ethoxy-2,2,7-trimethyloctan-4-amine
CID 116725152
4-ethoxy-N-ethyl-5,5-dimethylhexan-3-amine
CID 116725718
2-ethoxy-3,3-dimethyl-1-(3-methylcyclohexyl)butan-1-amine
CID 116725214
1-cyclopropyl-1-ethoxy-3-ethylpentan-2-amine
CID 116723204
3-ethoxy-2,2-dimethyldecan-4-ol
CID 116713288
1-(3,4-dimethoxyphenyl)-2-ethoxy-3,3-dimethylbutan-1-amine
CID 116725272
(3S)-3-ethoxy-2,2-dimethylpentane
CID 88893623
(3S)-4-methoxy-5,5-dimethylhexan-3-amine
CID 104932286
3-ethoxy-2,2-dimethyloctan-4-ol
CID 116713329
1-(2,6-dimethylphenyl)-3-ethoxy-4,4-dimethylpentan-2-amine
CID 116725277

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-5-ethyl-2,2-dimethylheptan-4-amine?
The IUPAC name of 3-ethoxy-5-ethyl-2,2-dimethylheptan-4-amine (CID 116725378) is 3-ethoxy-5-ethyl-2,2-dimethylheptan-4-amine.
What is the SMILES notation for 3-ethoxy-5-ethyl-2,2-dimethylheptan-4-amine?
The canonical SMILES for 3-ethoxy-5-ethyl-2,2-dimethylheptan-4-amine is CCOC(C(N)C(CC)CC)C(C)(C)C.
What is the InChIKey of 3-ethoxy-5-ethyl-2,2-dimethylheptan-4-amine?
The InChIKey is JAFGIRJHRVVZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-7-10(8-2)11(14)12(15-9-3)13(4,5)6/h10-12H,7-9,14H2,1-6H3.
What are the key properties of 3-ethoxy-5-ethyl-2,2-dimethylheptan-4-amine?
3-ethoxy-5-ethyl-2,2-dimethylheptan-4-amine has a molecular weight of 215.38 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-5-ethyl-2,2-dimethylheptan-4-amine is sourced from PubChem (CID 116725378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).