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

C17H30N4 — CID 106907228

IUPACN-[[6-[(3,4,5-trimethylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(CN2CC(C)N(C)C(C)C2)n1
InChIInChI=1S/C17H30N4/c1-5-9-18-10-16-7-6-8-17(19-16)13-21-11-14(2)20(4)15(3)12-21/h6-8,14-15,18H,5,9-13H2,1-4H3
InChIKeyWEOMNWADAZGIMO-UHFFFAOYSA-N
MW290.46 g/mol
LogP2.11
Rot. Bonds6

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

N-[[6-[(3,4,5-trimethylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]propan-1-amine (PubChem CID 106907228) has the molecular formula C17H30N4 and a molecular weight of 290.46 g/mol. Its IUPAC name is N-[[6-[(3,4,5-trimethylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-[(3,4,5-trimethylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]propan-1-amine
PubChem CID106907228
Molecular FormulaC17H30N4
Molecular Weight290.46 g/mol
Exact Mass290.25
IUPAC NameN-[[6-[(3,4,5-trimethylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(CN2CC(C)N(C)C(C)C2)n1
InChIInChI=1S/C17H30N4/c1-5-9-18-10-16-7-6-8-17(19-16)13-21-11-14(2)20(4)15(3)12-21/h6-8,14-15,18H,5,9-13H2,1-4H3
InChIKeyWEOMNWADAZGIMO-UHFFFAOYSA-N
XLogP2.11
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 52.11
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-[[6-[(3,4,5-trimethylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[6-[(3,4,5-trimethylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]propan-1-amine (CID 106907228) is N-[[6-[(3,4,5-trimethylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-[(3,4,5-trimethylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-[(3,4,5-trimethylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]propan-1-amine is CCCNCc1cccc(CN2CC(C)N(C)C(C)C2)n1.
What is the InChIKey of N-[[6-[(3,4,5-trimethylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]propan-1-amine?
The InChIKey is WEOMNWADAZGIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-5-9-18-10-16-7-6-8-17(19-16)13-21-11-14(2)20(4)15(3)12-21/h6-8,14-15,18H,5,9-13H2,1-4H3.
What are the key properties of N-[[6-[(3,4,5-trimethylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]propan-1-amine?
N-[[6-[(3,4,5-trimethylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]propan-1-amine has a molecular weight of 290.46 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(3,4,5-trimethylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 106907228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).