1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-ethylcyclohexan-1-ol

C15H27NO2 — CID 79124390

IUPAC1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-ethylcyclohexan-1-ol
SMILESCCC1CCCCC1(O)C1(CN)CC2CCC1O2
InChIInChI=1S/C15H27NO2/c1-2-11-5-3-4-8-15(11,17)14(10-16)9-12-6-7-13(14)18-12/h11-13,17H,2-10,16H2,1H3
InChIKeyNCTUJOHWGOPAJV-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.21
Rot. Bonds3

About 1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-ethylcyclohexan-1-ol

1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-ethylcyclohexan-1-ol (PubChem CID 79124390) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-ethylcyclohexan-1-ol
PubChem CID79124390
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-ethylcyclohexan-1-ol
SMILESCCC1CCCCC1(O)C1(CN)CC2CCC1O2
InChIInChI=1S/C15H27NO2/c1-2-11-5-3-4-8-15(11,17)14(10-16)9-12-6-7-13(14)18-12/h11-13,17H,2-10,16H2,1H3
InChIKeyNCTUJOHWGOPAJV-UHFFFAOYSA-N
XLogP2.21
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-ethylcyclohexan-1-ol?
The IUPAC name of 1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-ethylcyclohexan-1-ol (CID 79124390) is 1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-ethylcyclohexan-1-ol.
What is the SMILES notation for 1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-ethylcyclohexan-1-ol?
The canonical SMILES for 1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-ethylcyclohexan-1-ol is CCC1CCCCC1(O)C1(CN)CC2CCC1O2.
What is the InChIKey of 1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-ethylcyclohexan-1-ol?
The InChIKey is NCTUJOHWGOPAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-2-11-5-3-4-8-15(11,17)14(10-16)9-12-6-7-13(14)18-12/h11-13,17H,2-10,16H2,1H3.
What are the key properties of 1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-ethylcyclohexan-1-ol?
1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-ethylcyclohexan-1-ol has a molecular weight of 253.39 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-ethylcyclohexan-1-ol is sourced from PubChem (CID 79124390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).