3-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine

C16H32N4 — CID 83012172

IUPAC3-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCC1CCCC(C)N1NC1(CN)CC2CCC(C1)N2C
InChIInChI=1S/C16H32N4/c1-12-5-4-6-13(2)20(12)18-16(11-17)9-14-7-8-15(10-16)19(14)3/h12-15,18H,4-11,17H2,1-3H3
InChIKeyBQGXPQIJCOTRAO-UHFFFAOYSA-N
MW280.46 g/mol
LogP1.71
Rot. Bonds3

About 3-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine

3-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 83012172) has the molecular formula C16H32N4 and a molecular weight of 280.46 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID83012172
Molecular FormulaC16H32N4
Molecular Weight280.46 g/mol
Exact Mass280.26
IUPAC Name3-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCC1CCCC(C)N1NC1(CN)CC2CCC(C1)N2C
InChIInChI=1S/C16H32N4/c1-12-5-4-6-13(2)20(12)18-16(11-17)9-14-7-8-15(10-16)19(14)3/h12-15,18H,4-11,17H2,1-3H3
InChIKeyBQGXPQIJCOTRAO-UHFFFAOYSA-N
XLogP1.71
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(aminomethyl)cyclopropyl]-2,6-dimethylpiperidin-1-amine
CID 106661348
N-[1-(aminomethyl)-3-propan-2-ylcyclohexyl]-2,6-dimethylpiperidin-1-amine
CID 107449208
N-[1-(aminomethyl)-3-(trifluoromethyl)cyclohexyl]-2,6-dimethylpiperidin-1-amine
CID 83011418
4-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)-1-propylazepan-4-amine
CID 83012034
N-[3-(aminomethyl)-5,5-dimethylthian-3-yl]-2,6-dimethylpiperidin-1-amine
CID 83012067
N-[1-(aminomethyl)-2-propan-2-ylcyclohexyl]-2,6-dimethylpiperidin-1-amine
CID 83011026
3-(aminomethyl)-N-cyclopentyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43267019
3-(aminomethyl)-N-cycloheptyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43613913
[8-methyl-3-(methylamino)-8-azabicyclo[3.2.1]octan-3-yl]methanol
CID 61054110
[3-(2,3-dimethylpiperidin-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine
CID 62124600
[3-(2,4-dimethylpiperidin-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine
CID 55061316
3-(aminomethyl)-N-butan-2-yl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43272772

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 3-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (CID 83012172) is 3-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine is CC1CCCC(C)N1NC1(CN)CC2CCC(C1)N2C.
What is the InChIKey of 3-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is BQGXPQIJCOTRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4/c1-12-5-4-6-13(2)20(12)18-16(11-17)9-14-7-8-15(10-16)19(14)3/h12-15,18H,4-11,17H2,1-3H3.
What are the key properties of 3-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
3-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 280.46 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 83012172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).