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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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).