3-(2-ethylhexoxy)pentan-1-amine

C13H29NO — CID 19432124

IUPAC3-(2-ethylhexoxy)pentan-1-amine
SMILESCCCCC(CC)COC(CC)CCN
InChIInChI=1S/C13H29NO/c1-4-7-8-12(5-2)11-15-13(6-3)9-10-14/h12-13H,4-11,14H2,1-3H3
InChIKeyRUQGZPJNFKWSAZ-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.35
Rot. Bonds10

About 3-(2-ethylhexoxy)pentan-1-amine

3-(2-ethylhexoxy)pentan-1-amine (PubChem CID 19432124) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 3-(2-ethylhexoxy)pentan-1-amine.

Molecular Properties

Compound Name3-(2-ethylhexoxy)pentan-1-amine
PubChem CID19432124
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name3-(2-ethylhexoxy)pentan-1-amine
SMILESCCCCC(CC)COC(CC)CCN
InChIInChI=1S/C13H29NO/c1-4-7-8-12(5-2)11-15-13(6-3)9-10-14/h12-13H,4-11,14H2,1-3H3
InChIKeyRUQGZPJNFKWSAZ-UHFFFAOYSA-N
XLogP3.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2-ethylhexoxy)pentan-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylhexoxy)pentan-1-amine?
The IUPAC name of 3-(2-ethylhexoxy)pentan-1-amine (CID 19432124) is 3-(2-ethylhexoxy)pentan-1-amine.
What is the SMILES notation for 3-(2-ethylhexoxy)pentan-1-amine?
The canonical SMILES for 3-(2-ethylhexoxy)pentan-1-amine is CCCCC(CC)COC(CC)CCN.
What is the InChIKey of 3-(2-ethylhexoxy)pentan-1-amine?
The InChIKey is RUQGZPJNFKWSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-4-7-8-12(5-2)11-15-13(6-3)9-10-14/h12-13H,4-11,14H2,1-3H3.
What are the key properties of 3-(2-ethylhexoxy)pentan-1-amine?
3-(2-ethylhexoxy)pentan-1-amine has a molecular weight of 215.38 g/mol, XLogP of 3.35, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylhexoxy)pentan-1-amine is sourced from PubChem (CID 19432124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).