N-[[3-(2-ethylhexyl)oxolan-3-yl]methyl]ethanamine

C15H31NO — CID 55134647

IUPACN-[[3-(2-ethylhexyl)oxolan-3-yl]methyl]ethanamine
SMILESCCCCC(CC)CC1(CNCC)CCOC1
InChIInChI=1S/C15H31NO/c1-4-7-8-14(5-2)11-15(12-16-6-3)9-10-17-13-15/h14,16H,4-13H2,1-3H3
InChIKeyCASCKEFGTOJRID-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.61
Rot. Bonds9

About N-[[3-(2-ethylhexyl)oxolan-3-yl]methyl]ethanamine

N-[[3-(2-ethylhexyl)oxolan-3-yl]methyl]ethanamine (PubChem CID 55134647) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is N-[[3-(2-ethylhexyl)oxolan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(2-ethylhexyl)oxolan-3-yl]methyl]ethanamine
PubChem CID55134647
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC NameN-[[3-(2-ethylhexyl)oxolan-3-yl]methyl]ethanamine
SMILESCCCCC(CC)CC1(CNCC)CCOC1
InChIInChI=1S/C15H31NO/c1-4-7-8-14(5-2)11-15(12-16-6-3)9-10-17-13-15/h14,16H,4-13H2,1-3H3
InChIKeyCASCKEFGTOJRID-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[3-(2-ethylhexyl)oxolan-3-yl]methyl]ethanamine 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 N-[[3-(2-ethylhexyl)oxolan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[3-(2-ethylhexyl)oxolan-3-yl]methyl]ethanamine (CID 55134647) is N-[[3-(2-ethylhexyl)oxolan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(2-ethylhexyl)oxolan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-(2-ethylhexyl)oxolan-3-yl]methyl]ethanamine is CCCCC(CC)CC1(CNCC)CCOC1.
What is the InChIKey of N-[[3-(2-ethylhexyl)oxolan-3-yl]methyl]ethanamine?
The InChIKey is CASCKEFGTOJRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-4-7-8-14(5-2)11-15(12-16-6-3)9-10-17-13-15/h14,16H,4-13H2,1-3H3.
What are the key properties of N-[[3-(2-ethylhexyl)oxolan-3-yl]methyl]ethanamine?
N-[[3-(2-ethylhexyl)oxolan-3-yl]methyl]ethanamine has a molecular weight of 241.42 g/mol, XLogP of 3.61, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-ethylhexyl)oxolan-3-yl]methyl]ethanamine is sourced from PubChem (CID 55134647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).