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

C13H25NO — CID 65394683

IUPAC[2-(2-methylpentyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine
SMILESCCCC(C)CC1(CN)CC2CCC1O2
InChIInChI=1S/C13H25NO/c1-3-4-10(2)7-13(9-14)8-11-5-6-12(13)15-11/h10-12H,3-9,14H2,1-2H3
InChIKeyWVDYORXMFCFMCT-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.71
Rot. Bonds5

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

[2-(2-methylpentyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine (PubChem CID 65394683) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is [2-(2-methylpentyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine.

Molecular Properties

Compound Name[2-(2-methylpentyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine
PubChem CID65394683
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name[2-(2-methylpentyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine
SMILESCCCC(C)CC1(CN)CC2CCC1O2
InChIInChI=1S/C13H25NO/c1-3-4-10(2)7-13(9-14)8-11-5-6-12(13)15-11/h10-12H,3-9,14H2,1-2H3
InChIKeyWVDYORXMFCFMCT-UHFFFAOYSA-N
XLogP2.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-(2-methylpentyl)-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-methylpentyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine?
The IUPAC name of [2-(2-methylpentyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine (CID 65394683) is [2-(2-methylpentyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine.
What is the SMILES notation for [2-(2-methylpentyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine?
The canonical SMILES for [2-(2-methylpentyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine is CCCC(C)CC1(CN)CC2CCC1O2.
What is the InChIKey of [2-(2-methylpentyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine?
The InChIKey is WVDYORXMFCFMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-4-10(2)7-13(9-14)8-11-5-6-12(13)15-11/h10-12H,3-9,14H2,1-2H3.
What are the key properties of [2-(2-methylpentyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine?
[2-(2-methylpentyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine has a molecular weight of 211.35 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpentyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine is sourced from PubChem (CID 65394683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).