2-methyl-N-[[6-(3,4,5-trimethylpiperazin-1-yl)-2-pyridinyl]methyl]propan-1-amine

C17H30N4 — CID 114539879

IUPAC2-methyl-N-[[6-(3,4,5-trimethylpiperazin-1-yl)-2-pyridinyl]methyl]propan-1-amine
SMILESCC(C)CNCc1cccc(N2CC(C)N(C)C(C)C2)n1
InChIInChI=1S/C17H30N4/c1-13(2)9-18-10-16-7-6-8-17(19-16)21-11-14(3)20(5)15(4)12-21/h6-8,13-15,18H,9-12H2,1-5H3
InChIKeyKXAJKVOCQLGAJX-UHFFFAOYSA-N
MW290.46 g/mol
LogP2.36
Rot. Bonds5

About 2-methyl-N-[[6-(3,4,5-trimethylpiperazin-1-yl)-2-pyridinyl]methyl]propan-1-amine

2-methyl-N-[[6-(3,4,5-trimethylpiperazin-1-yl)-2-pyridinyl]methyl]propan-1-amine (PubChem CID 114539879) has the molecular formula C17H30N4 and a molecular weight of 290.46 g/mol. Its IUPAC name is 2-methyl-N-[[6-(3,4,5-trimethylpiperazin-1-yl)-2-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[6-(3,4,5-trimethylpiperazin-1-yl)-2-pyridinyl]methyl]propan-1-amine
PubChem CID114539879
Molecular FormulaC17H30N4
Molecular Weight290.46 g/mol
Exact Mass290.25
IUPAC Name2-methyl-N-[[6-(3,4,5-trimethylpiperazin-1-yl)-2-pyridinyl]methyl]propan-1-amine
SMILESCC(C)CNCc1cccc(N2CC(C)N(C)C(C)C2)n1
InChIInChI=1S/C17H30N4/c1-13(2)9-18-10-16-7-6-8-17(19-16)21-11-14(3)20(5)15(4)12-21/h6-8,13-15,18H,9-12H2,1-5H3
InChIKeyKXAJKVOCQLGAJX-UHFFFAOYSA-N
XLogP2.36
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-(2,5-dimethylmorpholin-4-yl)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62279235
2-methyl-N-[[6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]propan-1-amine
CID 114412629
N-[[6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62294491
1-[6-(3,4-dimethylpiperazin-1-yl)-2-pyridinyl]-N-methylmethanamine
CID 63621802
N-[[6-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 106906698
N-[[6-(2-ethylpiperidin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62279349
N-[[6-(4-ethyl-3-methylpiperazin-1-yl)-2-pyridinyl]methyl]ethanamine
CID 63620272
2-methyl-N-[[6-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106905480
2-methyl-N-[[6-[(2-methylthiomorpholin-4-yl)methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106907151
N-[[6-[(3,4,5-trimethylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106907228
N-[[6-(4-methylpiperidin-1-yl)-2-pyridinyl]methyl]propan-2-amine
CID 62286089
2-(chloromethyl)-6-(3,4-dimethylpyrrolidin-1-yl)pyridine
CID 79184553

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[6-(3,4,5-trimethylpiperazin-1-yl)-2-pyridinyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[6-(3,4,5-trimethylpiperazin-1-yl)-2-pyridinyl]methyl]propan-1-amine (CID 114539879) is 2-methyl-N-[[6-(3,4,5-trimethylpiperazin-1-yl)-2-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[6-(3,4,5-trimethylpiperazin-1-yl)-2-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[6-(3,4,5-trimethylpiperazin-1-yl)-2-pyridinyl]methyl]propan-1-amine is CC(C)CNCc1cccc(N2CC(C)N(C)C(C)C2)n1.
What is the InChIKey of 2-methyl-N-[[6-(3,4,5-trimethylpiperazin-1-yl)-2-pyridinyl]methyl]propan-1-amine?
The InChIKey is KXAJKVOCQLGAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-13(2)9-18-10-16-7-6-8-17(19-16)21-11-14(3)20(5)15(4)12-21/h6-8,13-15,18H,9-12H2,1-5H3.
What are the key properties of 2-methyl-N-[[6-(3,4,5-trimethylpiperazin-1-yl)-2-pyridinyl]methyl]propan-1-amine?
2-methyl-N-[[6-(3,4,5-trimethylpiperazin-1-yl)-2-pyridinyl]methyl]propan-1-amine has a molecular weight of 290.46 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[6-(3,4,5-trimethylpiperazin-1-yl)-2-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 114539879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).