N-[[6-[(3,3,4-trimethylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine

C16H28N4 — CID 106906588

IUPACN-[[6-[(3,3,4-trimethylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccc(CN2CCN(C)C(C)(C)C2)n1
InChIInChI=1S/C16H28N4/c1-5-17-11-14-7-6-8-15(18-14)12-20-10-9-19(4)16(2,3)13-20/h6-8,17H,5,9-13H2,1-4H3
InChIKeyQVVSVQOHOCZNMR-UHFFFAOYSA-N
MW276.43 g/mol
LogP1.72
Rot. Bonds5

About N-[[6-[(3,3,4-trimethylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine

N-[[6-[(3,3,4-trimethylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine (PubChem CID 106906588) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is N-[[6-[(3,3,4-trimethylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-[(3,3,4-trimethylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine
PubChem CID106906588
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC NameN-[[6-[(3,3,4-trimethylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccc(CN2CCN(C)C(C)(C)C2)n1
InChIInChI=1S/C16H28N4/c1-5-17-11-14-7-6-8-15(18-14)12-20-10-9-19(4)16(2,3)13-20/h6-8,17H,5,9-13H2,1-4H3
InChIKeyQVVSVQOHOCZNMR-UHFFFAOYSA-N
XLogP1.72
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-6-[(3,3,4-trimethylpiperazin-1-yl)methyl]pyridin-2-amine
CID 79233123
N-[[6-[(3,3-dimethylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine
CID 106906886
N-[[6-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine
CID 106906516
N-[[6-[(4-cyclopropylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine
CID 106905371
N-[[1-[2-(3,3,4-trimethylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine
CID 63621508
N-[[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine
CID 106906497
N-[[6-[(4-butan-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine
CID 106906436
N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]ethanamine
CID 11566567
N-[[6-(3,3,4-trimethylpiperazin-1-yl)pyridazin-3-yl]methyl]ethanamine
CID 63621118
N-[[5-methyl-4-[(3,3,4-trimethylpiperazin-1-yl)methyl]furan-2-yl]methyl]ethanamine
CID 63619652
[4-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenyl]methanamine
CID 63604707
2-methyl-N-[[6-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106905480

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(3,3,4-trimethylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[6-[(3,3,4-trimethylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine (CID 106906588) is N-[[6-[(3,3,4-trimethylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[6-[(3,3,4-trimethylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[6-[(3,3,4-trimethylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine is CCNCc1cccc(CN2CCN(C)C(C)(C)C2)n1.
What is the InChIKey of N-[[6-[(3,3,4-trimethylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine?
The InChIKey is QVVSVQOHOCZNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-5-17-11-14-7-6-8-15(18-14)12-20-10-9-19(4)16(2,3)13-20/h6-8,17H,5,9-13H2,1-4H3.
What are the key properties of N-[[6-[(3,3,4-trimethylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine?
N-[[6-[(3,3,4-trimethylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine has a molecular weight of 276.43 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(3,3,4-trimethylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 106906588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).