[3-(aminomethyl)-8-azabicyclo[3.2.1]octan-8-yl]-phenylmethanone

C15H20N2O — CID 22001682

IUPAC[3-(aminomethyl)-8-azabicyclo[3.2.1]octan-8-yl]-phenylmethanone
SMILESNCC1CC2CCC(C1)N2C(=O)c1ccccc1
InChIInChI=1S/C15H20N2O/c16-10-11-8-13-6-7-14(9-11)17(13)15(18)12-4-2-1-3-5-12/h1-5,11,13-14H,6-10,16H2
InChIKeyQYJAIUBDMOTXSO-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.03
Rot. Bonds2

About [3-(aminomethyl)-8-azabicyclo[3.2.1]octan-8-yl]-phenylmethanone

[3-(aminomethyl)-8-azabicyclo[3.2.1]octan-8-yl]-phenylmethanone (PubChem CID 22001682) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is [3-(aminomethyl)-8-azabicyclo[3.2.1]octan-8-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-(aminomethyl)-8-azabicyclo[3.2.1]octan-8-yl]-phenylmethanone
PubChem CID22001682
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name[3-(aminomethyl)-8-azabicyclo[3.2.1]octan-8-yl]-phenylmethanone
SMILESNCC1CC2CCC(C1)N2C(=O)c1ccccc1
InChIInChI=1S/C15H20N2O/c16-10-11-8-13-6-7-14(9-11)17(13)15(18)12-4-2-1-3-5-12/h1-5,11,13-14H,6-10,16H2
InChIKeyQYJAIUBDMOTXSO-UHFFFAOYSA-N
XLogP2.03
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(aminomethyl)-2-fluoropiperidin-1-yl]-phenylmethanone
CID 142777776
[3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-fluorophenyl)methanone
CID 90591304
2-[8-(2-hydroxybenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79612461
(6,9-dibenzoyl-3,6,9-triazatetracyclo[6.1.0.02,4.05,7]nonan-3-yl)-phenylmethanone
CID 12599630
(4-aminophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone;hydrochloride
CID 119706378
[3-(aminomethyl)pyrrolidin-1-yl]-(1-benzoyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl)methanone;hydrochloride
CID 119485168
[3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 90591472
methyl 8-benzoyl-3-hydroxy-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 21155606
[4-(3-aminoprop-1-ynyl)phenyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 63768272
[(1R,4S)-6-hydroxy-5-azabicyclo[2.1.1]hexan-5-yl]-phenylmethanone
CID 15379256
1-[(1R,5S)-3-(aminomethyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-methoxyethanone
CID 167782690
(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(4-hydroxyphenyl)methanone
CID 63763664

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-8-azabicyclo[3.2.1]octan-8-yl]-phenylmethanone?
The IUPAC name of [3-(aminomethyl)-8-azabicyclo[3.2.1]octan-8-yl]-phenylmethanone (CID 22001682) is [3-(aminomethyl)-8-azabicyclo[3.2.1]octan-8-yl]-phenylmethanone.
What is the SMILES notation for [3-(aminomethyl)-8-azabicyclo[3.2.1]octan-8-yl]-phenylmethanone?
The canonical SMILES for [3-(aminomethyl)-8-azabicyclo[3.2.1]octan-8-yl]-phenylmethanone is NCC1CC2CCC(C1)N2C(=O)c1ccccc1.
What is the InChIKey of [3-(aminomethyl)-8-azabicyclo[3.2.1]octan-8-yl]-phenylmethanone?
The InChIKey is QYJAIUBDMOTXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c16-10-11-8-13-6-7-14(9-11)17(13)15(18)12-4-2-1-3-5-12/h1-5,11,13-14H,6-10,16H2.
What are the key properties of [3-(aminomethyl)-8-azabicyclo[3.2.1]octan-8-yl]-phenylmethanone?
[3-(aminomethyl)-8-azabicyclo[3.2.1]octan-8-yl]-phenylmethanone has a molecular weight of 244.34 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-8-azabicyclo[3.2.1]octan-8-yl]-phenylmethanone is sourced from PubChem (CID 22001682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).