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

C17H30N4 — CID 114539964

IUPACN-[[2-methyl-6-(3,4,5-trimethylpiperazin-1-yl)-4-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cc(C)nc(N2CC(C)N(C)C(C)C2)c1
InChIInChI=1S/C17H30N4/c1-6-7-18-10-16-8-13(2)19-17(9-16)21-11-14(3)20(5)15(4)12-21/h8-9,14-15,18H,6-7,10-12H2,1-5H3
InChIKeySHRYQPRNYPPDIL-UHFFFAOYSA-N
MW290.46 g/mol
LogP2.42
Rot. Bonds5

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

N-[[2-methyl-6-(3,4,5-trimethylpiperazin-1-yl)-4-pyridinyl]methyl]propan-1-amine (PubChem CID 114539964) has the molecular formula C17H30N4 and a molecular weight of 290.46 g/mol. Its IUPAC name is N-[[2-methyl-6-(3,4,5-trimethylpiperazin-1-yl)-4-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-methyl-6-(3,4,5-trimethylpiperazin-1-yl)-4-pyridinyl]methyl]propan-1-amine
PubChem CID114539964
Molecular FormulaC17H30N4
Molecular Weight290.46 g/mol
Exact Mass290.25
IUPAC NameN-[[2-methyl-6-(3,4,5-trimethylpiperazin-1-yl)-4-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cc(C)nc(N2CC(C)N(C)C(C)C2)c1
InChIInChI=1S/C17H30N4/c1-6-7-18-10-16-8-13(2)19-17(9-16)21-11-14(3)20(5)15(4)12-21/h8-9,14-15,18H,6-7,10-12H2,1-5H3
InChIKeySHRYQPRNYPPDIL-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-6-(3,4,5-trimethylpiperazin-1-yl)-4-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-methyl-6-(3,4,5-trimethylpiperazin-1-yl)-4-pyridinyl]methyl]propan-1-amine (CID 114539964) is N-[[2-methyl-6-(3,4,5-trimethylpiperazin-1-yl)-4-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-methyl-6-(3,4,5-trimethylpiperazin-1-yl)-4-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-methyl-6-(3,4,5-trimethylpiperazin-1-yl)-4-pyridinyl]methyl]propan-1-amine is CCCNCc1cc(C)nc(N2CC(C)N(C)C(C)C2)c1.
What is the InChIKey of N-[[2-methyl-6-(3,4,5-trimethylpiperazin-1-yl)-4-pyridinyl]methyl]propan-1-amine?
The InChIKey is SHRYQPRNYPPDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-6-7-18-10-16-8-13(2)19-17(9-16)21-11-14(3)20(5)15(4)12-21/h8-9,14-15,18H,6-7,10-12H2,1-5H3.
What are the key properties of N-[[2-methyl-6-(3,4,5-trimethylpiperazin-1-yl)-4-pyridinyl]methyl]propan-1-amine?
N-[[2-methyl-6-(3,4,5-trimethylpiperazin-1-yl)-4-pyridinyl]methyl]propan-1-amine has a molecular weight of 290.46 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-6-(3,4,5-trimethylpiperazin-1-yl)-4-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 114539964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).