2-(2-aminoethyl)-8,8-dimethyl-2-azabicyclo[4.2.0]octan-7-ol

C11H22N2O — CID 164653123

IUPAC2-(2-aminoethyl)-8,8-dimethyl-2-azabicyclo[4.2.0]octan-7-ol
SMILESCC1(C)C(O)C2CCCN(CCN)C21
InChIInChI=1S/C11H22N2O/c1-11(2)9-8(10(11)14)4-3-6-13(9)7-5-12/h8-10,14H,3-7,12H2,1-2H3
InChIKeyVYVNXADUBNMYCM-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.43
Rot. Bonds2

About 2-(2-aminoethyl)-8,8-dimethyl-2-azabicyclo[4.2.0]octan-7-ol

2-(2-aminoethyl)-8,8-dimethyl-2-azabicyclo[4.2.0]octan-7-ol (PubChem CID 164653123) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-(2-aminoethyl)-8,8-dimethyl-2-azabicyclo[4.2.0]octan-7-ol.

Molecular Properties

Compound Name2-(2-aminoethyl)-8,8-dimethyl-2-azabicyclo[4.2.0]octan-7-ol
PubChem CID164653123
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-(2-aminoethyl)-8,8-dimethyl-2-azabicyclo[4.2.0]octan-7-ol
SMILESCC1(C)C(O)C2CCCN(CCN)C21
InChIInChI=1S/C11H22N2O/c1-11(2)9-8(10(11)14)4-3-6-13(9)7-5-12/h8-10,14H,3-7,12H2,1-2H3
InChIKeyVYVNXADUBNMYCM-UHFFFAOYSA-N
XLogP0.43
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7-hydroxy-8,8-dimethyl-2-azabicyclo[4.2.0]octan-2-yl)acetaldehyde
CID 164651652
formic acid;2-(2-methoxypyrrolidin-1-yl)ethanamine
CID 174841555
1-(2-aminoethyl)pyrrolidine-2-carboxylic acid
CID 63653380
(2R)-1-(2-aminoethyl)pyrrolidine-2-carboxamide
CID 28822969
2-[2-(4-chlorophenyl)pyrrolidin-1-yl]ethanamine
CID 25248409
5-[[(1R,6S,7S)-7-hydroxy-8,8-dimethyl-2-azabicyclo[4.2.0]octan-2-yl]methyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 167986052
2-[(2S)-2-(4,5-dimethylthiophen-2-yl)pyrrolidin-1-yl]ethanamine
CID 51619115
1-(4-aminobutyl)pyrrolidin-2-ol
CID 101255964
2-[(2R,3R)-3-ethenyl-2-methylpiperidin-1-yl]ethanamine
CID 138507133
2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanamine
CID 51619077
N-[[(2S)-1-(2-aminoethyl)pyrrolidin-2-yl]methyl]-N-methylacetamide
CID 66567395
2-(2-methylazetidin-1-yl)ethanamine
CID 79677018

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-8,8-dimethyl-2-azabicyclo[4.2.0]octan-7-ol?
The IUPAC name of 2-(2-aminoethyl)-8,8-dimethyl-2-azabicyclo[4.2.0]octan-7-ol (CID 164653123) is 2-(2-aminoethyl)-8,8-dimethyl-2-azabicyclo[4.2.0]octan-7-ol.
What is the SMILES notation for 2-(2-aminoethyl)-8,8-dimethyl-2-azabicyclo[4.2.0]octan-7-ol?
The canonical SMILES for 2-(2-aminoethyl)-8,8-dimethyl-2-azabicyclo[4.2.0]octan-7-ol is CC1(C)C(O)C2CCCN(CCN)C21.
What is the InChIKey of 2-(2-aminoethyl)-8,8-dimethyl-2-azabicyclo[4.2.0]octan-7-ol?
The InChIKey is VYVNXADUBNMYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-11(2)9-8(10(11)14)4-3-6-13(9)7-5-12/h8-10,14H,3-7,12H2,1-2H3.
What are the key properties of 2-(2-aminoethyl)-8,8-dimethyl-2-azabicyclo[4.2.0]octan-7-ol?
2-(2-aminoethyl)-8,8-dimethyl-2-azabicyclo[4.2.0]octan-7-ol has a molecular weight of 198.31 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-8,8-dimethyl-2-azabicyclo[4.2.0]octan-7-ol is sourced from PubChem (CID 164653123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).