3-(aminomethyl)-N-benzyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine

C17H27N3 — CID 43131839

IUPAC3-(aminomethyl)-N-benzyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN1C2CCC1CC(CN)(N(C)Cc1ccccc1)C2
InChIInChI=1S/C17H27N3/c1-19(12-14-6-4-3-5-7-14)17(13-18)10-15-8-9-16(11-17)20(15)2/h3-7,15-16H,8-13,18H2,1-2H3
InChIKeyGJLTWEYDUIOETL-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.07
Rot. Bonds4

About 3-(aminomethyl)-N-benzyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine

3-(aminomethyl)-N-benzyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 43131839) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 3-(aminomethyl)-N-benzyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-benzyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID43131839
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name3-(aminomethyl)-N-benzyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN1C2CCC1CC(CN)(N(C)Cc1ccccc1)C2
InChIInChI=1S/C17H27N3/c1-19(12-14-6-4-3-5-7-14)17(13-18)10-15-8-9-16(11-17)20(15)2/h3-7,15-16H,8-13,18H2,1-2H3
InChIKeyGJLTWEYDUIOETL-UHFFFAOYSA-N
XLogP2.07
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-benzyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 3-(aminomethyl)-N-benzyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine (CID 43131839) is 3-(aminomethyl)-N-benzyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-benzyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-benzyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine is CN1C2CCC1CC(CN)(N(C)Cc1ccccc1)C2.
What is the InChIKey of 3-(aminomethyl)-N-benzyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is GJLTWEYDUIOETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-19(12-14-6-4-3-5-7-14)17(13-18)10-15-8-9-16(11-17)20(15)2/h3-7,15-16H,8-13,18H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-benzyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine?
3-(aminomethyl)-N-benzyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 273.42 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-benzyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 43131839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).