1-[8-[4-(aminomethyl)phenyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone

C15H21N3O — CID 155770127

IUPAC1-[8-[4-(aminomethyl)phenyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone
SMILESCC(=O)N1CC2CCC(C1)N2c1ccc(CN)cc1
InChIInChI=1S/C15H21N3O/c1-11(19)17-9-14-6-7-15(10-17)18(14)13-4-2-12(8-16)3-5-13/h2-5,14-15H,6-10,16H2,1H3
InChIKeyHDSTUSLCUHSOGB-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.34
Rot. Bonds2

About 1-[8-[4-(aminomethyl)phenyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone

1-[8-[4-(aminomethyl)phenyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone (PubChem CID 155770127) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-[8-[4-(aminomethyl)phenyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone.

Molecular Properties

Compound Name1-[8-[4-(aminomethyl)phenyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone
PubChem CID155770127
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-[8-[4-(aminomethyl)phenyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone
SMILESCC(=O)N1CC2CCC(C1)N2c1ccc(CN)cc1
InChIInChI=1S/C15H21N3O/c1-11(19)17-9-14-6-7-15(10-17)18(14)13-4-2-12(8-16)3-5-13/h2-5,14-15H,6-10,16H2,1H3
InChIKeyHDSTUSLCUHSOGB-UHFFFAOYSA-N
XLogP1.34
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(aminomethyl)phenyl]-(3,4-dimethylpyrrolidin-1-yl)methanone;hydrochloride
CID 119328198
1-[6-[4-(aminomethyl)phenyl]-1,6-diazaspiro[3.3]heptan-1-yl]ethanone
CID 155770188
1-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethanone
CID 70326972
1-[4-[[4-(aminomethyl)phenyl]methyl]-1,4-diazepan-1-yl]ethanone
CID 55004248
2-[4-(aminomethyl)phenyl]-1-(3-methylpyrrolidin-1-yl)ethanone
CID 63590667
[4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]methanamine
CID 55031754
1-[4-[6-[2-[4-(aminomethyl)phenyl]ethyl]-3-pyridinyl]piperazin-1-yl]ethanone
CID 58181336
2-[4-(aminomethyl)phenyl]-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone
CID 63591390
N-[4-(aminomethyl)phenyl]-3,4-dihydroxypyrrolidine-1-carboxamide
CID 106670528
1-[4-(aminomethyl)phenyl]piperidine-3-carboxamide
CID 43188147
2-[4-(aminomethyl)phenyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 63589232
[4-(4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)phenyl]methanamine
CID 66486623

Frequently Asked Questions

What is the IUPAC name of 1-[8-[4-(aminomethyl)phenyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone?
The IUPAC name of 1-[8-[4-(aminomethyl)phenyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone (CID 155770127) is 1-[8-[4-(aminomethyl)phenyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone.
What is the SMILES notation for 1-[8-[4-(aminomethyl)phenyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone?
The canonical SMILES for 1-[8-[4-(aminomethyl)phenyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone is CC(=O)N1CC2CCC(C1)N2c1ccc(CN)cc1.
What is the InChIKey of 1-[8-[4-(aminomethyl)phenyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone?
The InChIKey is HDSTUSLCUHSOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11(19)17-9-14-6-7-15(10-17)18(14)13-4-2-12(8-16)3-5-13/h2-5,14-15H,6-10,16H2,1H3.
What are the key properties of 1-[8-[4-(aminomethyl)phenyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone?
1-[8-[4-(aminomethyl)phenyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone has a molecular weight of 259.35 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-[4-(aminomethyl)phenyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone is sourced from PubChem (CID 155770127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).