5-(2-azabicyclo[2.2.1]heptan-2-yl)-2-ethyl-2-(methylamino)pentan-1-ol

C14H28N2O — CID 106809483

IUPAC5-(2-azabicyclo[2.2.1]heptan-2-yl)-2-ethyl-2-(methylamino)pentan-1-ol
SMILESCCC(CO)(CCCN1CC2CCC1C2)NC
InChIInChI=1S/C14H28N2O/c1-3-14(11-17,15-2)7-4-8-16-10-12-5-6-13(16)9-12/h12-13,15,17H,3-11H2,1-2H3
InChIKeyISWGDQJYKDLDAB-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.61
Rot. Bonds7

About 5-(2-azabicyclo[2.2.1]heptan-2-yl)-2-ethyl-2-(methylamino)pentan-1-ol

5-(2-azabicyclo[2.2.1]heptan-2-yl)-2-ethyl-2-(methylamino)pentan-1-ol (PubChem CID 106809483) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 5-(2-azabicyclo[2.2.1]heptan-2-yl)-2-ethyl-2-(methylamino)pentan-1-ol.

Molecular Properties

Compound Name5-(2-azabicyclo[2.2.1]heptan-2-yl)-2-ethyl-2-(methylamino)pentan-1-ol
PubChem CID106809483
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name5-(2-azabicyclo[2.2.1]heptan-2-yl)-2-ethyl-2-(methylamino)pentan-1-ol
SMILESCCC(CO)(CCCN1CC2CCC1C2)NC
InChIInChI=1S/C14H28N2O/c1-3-14(11-17,15-2)7-4-8-16-10-12-5-6-13(16)9-12/h12-13,15,17H,3-11H2,1-2H3
InChIKeyISWGDQJYKDLDAB-UHFFFAOYSA-N
XLogP1.61
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-6-(2-azabicyclo[2.2.1]heptan-2-yl)hexan-3-ol
CID 106811259
2-ethyl-5-(2-ethylazepan-1-yl)-2-(methylamino)pentan-1-ol
CID 106809858
5-(2-cyclopentylpyrrolidin-1-yl)-2-ethyl-2-(methylamino)pentan-1-ol
CID 106809445
2-ethyl-2-(methylamino)-5-pyrrolidin-1-ylpentan-1-ol
CID 106809047
5-(2-azabicyclo[2.2.1]heptan-2-yl)pentan-1-ol
CID 62228228
2-(cyclopropylamino)-5-(2,4-dimethylpyrrolidin-1-yl)-2-ethylpentan-1-ol
CID 106809879
2-ethyl-2-(methylamino)-5-[4-(trifluoromethyl)piperidin-1-yl]pentan-1-ol
CID 106809681
4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(methylamino)butan-1-ol
CID 64826359
4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-tert-butylbutan-1-amine
CID 62435119
2-ethyl-5-[3-(methoxymethyl)piperidin-1-yl]-2-(methylamino)pentan-1-ol
CID 106809961
2-ethyl-5-(3-ethyl-4-methylpiperazin-1-yl)-2-(methylamino)pentan-1-ol
CID 106808728
2-ethyl-5-(4-ethylazepan-1-yl)-2-(methylamino)pentan-1-ol
CID 106809648

Frequently Asked Questions

What is the IUPAC name of 5-(2-azabicyclo[2.2.1]heptan-2-yl)-2-ethyl-2-(methylamino)pentan-1-ol?
The IUPAC name of 5-(2-azabicyclo[2.2.1]heptan-2-yl)-2-ethyl-2-(methylamino)pentan-1-ol (CID 106809483) is 5-(2-azabicyclo[2.2.1]heptan-2-yl)-2-ethyl-2-(methylamino)pentan-1-ol.
What is the SMILES notation for 5-(2-azabicyclo[2.2.1]heptan-2-yl)-2-ethyl-2-(methylamino)pentan-1-ol?
The canonical SMILES for 5-(2-azabicyclo[2.2.1]heptan-2-yl)-2-ethyl-2-(methylamino)pentan-1-ol is CCC(CO)(CCCN1CC2CCC1C2)NC.
What is the InChIKey of 5-(2-azabicyclo[2.2.1]heptan-2-yl)-2-ethyl-2-(methylamino)pentan-1-ol?
The InChIKey is ISWGDQJYKDLDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-3-14(11-17,15-2)7-4-8-16-10-12-5-6-13(16)9-12/h12-13,15,17H,3-11H2,1-2H3.
What are the key properties of 5-(2-azabicyclo[2.2.1]heptan-2-yl)-2-ethyl-2-(methylamino)pentan-1-ol?
5-(2-azabicyclo[2.2.1]heptan-2-yl)-2-ethyl-2-(methylamino)pentan-1-ol has a molecular weight of 240.39 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-azabicyclo[2.2.1]heptan-2-yl)-2-ethyl-2-(methylamino)pentan-1-ol is sourced from PubChem (CID 106809483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).