4-[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-2-ethyloxan-4-ol

C15H27NO2 — CID 113383723

IUPAC4-[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-2-ethyloxan-4-ol
SMILESCCC1CC(O)(C2(CN)CC3CCC2C3)CCO1
InChIInChI=1S/C15H27NO2/c1-2-13-9-15(17,5-6-18-13)14(10-16)8-11-3-4-12(14)7-11/h11-13,17H,2-10,16H2,1H3
InChIKeyHXOYOMLHRSLEDZ-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.07
Rot. Bonds3

About 4-[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-2-ethyloxan-4-ol

4-[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-2-ethyloxan-4-ol (PubChem CID 113383723) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 4-[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-2-ethyloxan-4-ol.

Molecular Properties

Compound Name4-[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-2-ethyloxan-4-ol
PubChem CID113383723
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name4-[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-2-ethyloxan-4-ol
SMILESCCC1CC(O)(C2(CN)CC3CCC2C3)CCO1
InChIInChI=1S/C15H27NO2/c1-2-13-9-15(17,5-6-18-13)14(10-16)8-11-3-4-12(14)7-11/h11-13,17H,2-10,16H2,1H3
InChIKeyHXOYOMLHRSLEDZ-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(aminomethyl)-3-methylcyclopentyl]-2-propyloxan-4-ol
CID 79123923
2-ethylspiro[1,3-dioxane-4,2'-bicyclo[2.2.1]heptane]
CID 150408477
4-[4-(aminomethyl)oxan-4-yl]-2-propyloxan-4-ol
CID 79125186
1-(2-ethyl-4-hydroxyoxan-4-yl)-4-propan-2-ylcyclohexane-1-carbonitrile
CID 79131840
4-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-methyloxan-4-ol
CID 79126049
4-[1-(aminomethyl)-4-ethylcyclohexyl]-2-propan-2-yloxan-4-ol
CID 79125187
4-(aminomethyl)-2-ethyl-N-(2-methylprop-2-enyl)oxan-4-amine
CID 114616093
N-[4-(aminomethyl)-2-ethyloxan-4-yl]piperidin-1-amine
CID 83012158
[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
CID 54205638
4-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-2-propyloxan-4-ol
CID 79123419
[2-(trimethylsilylmethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
CID 106323351
4-(difluoromethyl)-2-ethyloxan-4-amine
CID 80605249

Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-2-ethyloxan-4-ol?
The IUPAC name of 4-[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-2-ethyloxan-4-ol (CID 113383723) is 4-[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-2-ethyloxan-4-ol.
What is the SMILES notation for 4-[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-2-ethyloxan-4-ol?
The canonical SMILES for 4-[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-2-ethyloxan-4-ol is CCC1CC(O)(C2(CN)CC3CCC2C3)CCO1.
What is the InChIKey of 4-[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-2-ethyloxan-4-ol?
The InChIKey is HXOYOMLHRSLEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-2-13-9-15(17,5-6-18-13)14(10-16)8-11-3-4-12(14)7-11/h11-13,17H,2-10,16H2,1H3.
What are the key properties of 4-[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-2-ethyloxan-4-ol?
4-[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-2-ethyloxan-4-ol has a molecular weight of 253.39 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-2-ethyloxan-4-ol is sourced from PubChem (CID 113383723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).