2-[4-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]piperazin-1-yl]-N,N-dimethylethanamine

C16H29N5 — CID 81049660

IUPAC2-[4-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]piperazin-1-yl]-N,N-dimethylethanamine
SMILESCc1cc(N2CCN(CCN(C)C)CC2)c(CN)c(C)n1
InChIInChI=1S/C16H29N5/c1-13-11-16(15(12-17)14(2)18-13)21-9-7-20(8-10-21)6-5-19(3)4/h11H,5-10,12,17H2,1-4H3
InChIKeyXOSYTAMHQOYTFH-UHFFFAOYSA-N
MW291.44 g/mol
LogP0.84
Rot. Bonds5

About 2-[4-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]piperazin-1-yl]-N,N-dimethylethanamine

2-[4-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]piperazin-1-yl]-N,N-dimethylethanamine (PubChem CID 81049660) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-[4-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]piperazin-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]piperazin-1-yl]-N,N-dimethylethanamine
PubChem CID81049660
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name2-[4-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]piperazin-1-yl]-N,N-dimethylethanamine
SMILESCc1cc(N2CCN(CCN(C)C)CC2)c(CN)c(C)n1
InChIInChI=1S/C16H29N5/c1-13-11-16(15(12-17)14(2)18-13)21-9-7-20(8-10-21)6-5-19(3)4/h11H,5-10,12,17H2,1-4H3
InChIKeyXOSYTAMHQOYTFH-UHFFFAOYSA-N
XLogP0.84
TPSA48.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]piperazin-1-yl]-N,N-dimethylethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]piperazin-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]piperazin-1-yl]-N,N-dimethylethanamine (CID 81049660) is 2-[4-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]piperazin-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]piperazin-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]piperazin-1-yl]-N,N-dimethylethanamine is Cc1cc(N2CCN(CCN(C)C)CC2)c(CN)c(C)n1.
What is the InChIKey of 2-[4-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]piperazin-1-yl]-N,N-dimethylethanamine?
The InChIKey is XOSYTAMHQOYTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-13-11-16(15(12-17)14(2)18-13)21-9-7-20(8-10-21)6-5-19(3)4/h11H,5-10,12,17H2,1-4H3.
What are the key properties of 2-[4-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]piperazin-1-yl]-N,N-dimethylethanamine?
2-[4-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]piperazin-1-yl]-N,N-dimethylethanamine has a molecular weight of 291.44 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]piperazin-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 81049660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).