2-[4-[4-(aminomethyl)-1-azabicyclo[3.2.1]octan-4-yl]piperazin-1-yl]-N,N-dimethylethanamine

C16H33N5 — CID 105365146

IUPAC2-[4-[4-(aminomethyl)-1-azabicyclo[3.2.1]octan-4-yl]piperazin-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCN1CCN(C2(CN)CCN3CCC2C3)CC1
InChIInChI=1S/C16H33N5/c1-18(2)7-8-19-9-11-21(12-10-19)16(14-17)4-6-20-5-3-15(16)13-20/h15H,3-14,17H2,1-2H3
InChIKeyYHGNLQUVQCSHOO-UHFFFAOYSA-N
MW295.47 g/mol
LogP-0.41
Rot. Bonds5

About 2-[4-[4-(aminomethyl)-1-azabicyclo[3.2.1]octan-4-yl]piperazin-1-yl]-N,N-dimethylethanamine

2-[4-[4-(aminomethyl)-1-azabicyclo[3.2.1]octan-4-yl]piperazin-1-yl]-N,N-dimethylethanamine (PubChem CID 105365146) has the molecular formula C16H33N5 and a molecular weight of 295.47 g/mol. Its IUPAC name is 2-[4-[4-(aminomethyl)-1-azabicyclo[3.2.1]octan-4-yl]piperazin-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-[4-(aminomethyl)-1-azabicyclo[3.2.1]octan-4-yl]piperazin-1-yl]-N,N-dimethylethanamine
PubChem CID105365146
Molecular FormulaC16H33N5
Molecular Weight295.47 g/mol
Exact Mass295.27
IUPAC Name2-[4-[4-(aminomethyl)-1-azabicyclo[3.2.1]octan-4-yl]piperazin-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCN1CCN(C2(CN)CCN3CCC2C3)CC1
InChIInChI=1S/C16H33N5/c1-18(2)7-8-19-9-11-21(12-10-19)16(14-17)4-6-20-5-3-15(16)13-20/h15H,3-14,17H2,1-2H3
InChIKeyYHGNLQUVQCSHOO-UHFFFAOYSA-N
XLogP-0.41
TPSA38.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3,4-dimethoxypyrrolidin-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine
CID 103531788
[4-(4-ethylazepan-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine
CID 105365192
[4-(3-propylpyrrolidin-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine
CID 105365284
[4-(2,2,6-trimethylmorpholin-4-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine
CID 105365112
1-(aminomethyl)-2-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]cyclopentan-1-ol
CID 79588323
[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine
CID 105365202
2-[4-[3-(aminomethyl)-4,4-dimethylthian-3-yl]piperazin-1-yl]-N,N-dimethylethanamine
CID 79952654
4-(aminomethyl)-N-methyl-N-propan-2-yl-1-azabicyclo[3.2.1]octan-4-amine
CID 105364972
[4-(5-ethyl-2-methylmorpholin-4-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine
CID 105365059
2-[4-[[4-(aminomethyl)cyclohexyl]methyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 79533305
4-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105365091
4-(aminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105365185

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(aminomethyl)-1-azabicyclo[3.2.1]octan-4-yl]piperazin-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-[4-(aminomethyl)-1-azabicyclo[3.2.1]octan-4-yl]piperazin-1-yl]-N,N-dimethylethanamine (CID 105365146) is 2-[4-[4-(aminomethyl)-1-azabicyclo[3.2.1]octan-4-yl]piperazin-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-[4-(aminomethyl)-1-azabicyclo[3.2.1]octan-4-yl]piperazin-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-[4-(aminomethyl)-1-azabicyclo[3.2.1]octan-4-yl]piperazin-1-yl]-N,N-dimethylethanamine is CN(C)CCN1CCN(C2(CN)CCN3CCC2C3)CC1.
What is the InChIKey of 2-[4-[4-(aminomethyl)-1-azabicyclo[3.2.1]octan-4-yl]piperazin-1-yl]-N,N-dimethylethanamine?
The InChIKey is YHGNLQUVQCSHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N5/c1-18(2)7-8-19-9-11-21(12-10-19)16(14-17)4-6-20-5-3-15(16)13-20/h15H,3-14,17H2,1-2H3.
What are the key properties of 2-[4-[4-(aminomethyl)-1-azabicyclo[3.2.1]octan-4-yl]piperazin-1-yl]-N,N-dimethylethanamine?
2-[4-[4-(aminomethyl)-1-azabicyclo[3.2.1]octan-4-yl]piperazin-1-yl]-N,N-dimethylethanamine has a molecular weight of 295.47 g/mol, XLogP of -0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(aminomethyl)-1-azabicyclo[3.2.1]octan-4-yl]piperazin-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 105365146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).