[2-(2-ethylhexyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine

C15H29NO — CID 65395102

IUPAC[2-(2-ethylhexyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine
SMILESCCCCC(CC)CC1(CN)CC2CCC1O2
InChIInChI=1S/C15H29NO/c1-3-5-6-12(4-2)9-15(11-16)10-13-7-8-14(15)17-13/h12-14H,3-11,16H2,1-2H3
InChIKeyOKGPMKUENVWTQV-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.49
Rot. Bonds7

About [2-(2-ethylhexyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine

[2-(2-ethylhexyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine (PubChem CID 65395102) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is [2-(2-ethylhexyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine.

Molecular Properties

Compound Name[2-(2-ethylhexyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine
PubChem CID65395102
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name[2-(2-ethylhexyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine
SMILESCCCCC(CC)CC1(CN)CC2CCC1O2
InChIInChI=1S/C15H29NO/c1-3-5-6-12(4-2)9-15(11-16)10-13-7-8-14(15)17-13/h12-14H,3-11,16H2,1-2H3
InChIKeyOKGPMKUENVWTQV-UHFFFAOYSA-N
XLogP3.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-(2-ethylhexyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine 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 [2-(2-ethylhexyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine?
The IUPAC name of [2-(2-ethylhexyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine (CID 65395102) is [2-(2-ethylhexyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine.
What is the SMILES notation for [2-(2-ethylhexyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine?
The canonical SMILES for [2-(2-ethylhexyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine is CCCCC(CC)CC1(CN)CC2CCC1O2.
What is the InChIKey of [2-(2-ethylhexyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine?
The InChIKey is OKGPMKUENVWTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-3-5-6-12(4-2)9-15(11-16)10-13-7-8-14(15)17-13/h12-14H,3-11,16H2,1-2H3.
What are the key properties of [2-(2-ethylhexyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine?
[2-(2-ethylhexyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine has a molecular weight of 239.40 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethylhexyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine is sourced from PubChem (CID 65395102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).