N-[[6-(3,4-dimethylpyrrolidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine

C14H24N4 — CID 79183359

IUPACN-[[6-(3,4-dimethylpyrrolidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(N2CC(C)C(C)C2)nn1
InChIInChI=1S/C14H24N4/c1-4-7-15-8-13-5-6-14(17-16-13)18-9-11(2)12(3)10-18/h5-6,11-12,15H,4,7-10H2,1-3H3
InChIKeyNRNMQNUBONHZHJ-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.07
Rot. Bonds5

About N-[[6-(3,4-dimethylpyrrolidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine

N-[[6-(3,4-dimethylpyrrolidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine (PubChem CID 79183359) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[[6-(3,4-dimethylpyrrolidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-(3,4-dimethylpyrrolidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine
PubChem CID79183359
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC NameN-[[6-(3,4-dimethylpyrrolidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(N2CC(C)C(C)C2)nn1
InChIInChI=1S/C14H24N4/c1-4-7-15-8-13-5-6-14(17-16-13)18-9-11(2)12(3)10-18/h5-6,11-12,15H,4,7-10H2,1-3H3
InChIKeyNRNMQNUBONHZHJ-UHFFFAOYSA-N
XLogP2.07
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.07
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-dimethylpyrrolidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[6-(3,4-dimethylpyrrolidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine (CID 79183359) is N-[[6-(3,4-dimethylpyrrolidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-(3,4-dimethylpyrrolidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-(3,4-dimethylpyrrolidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine is CCCNCc1ccc(N2CC(C)C(C)C2)nn1.
What is the InChIKey of N-[[6-(3,4-dimethylpyrrolidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine?
The InChIKey is NRNMQNUBONHZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-4-7-15-8-13-5-6-14(17-16-13)18-9-11(2)12(3)10-18/h5-6,11-12,15H,4,7-10H2,1-3H3.
What are the key properties of N-[[6-(3,4-dimethylpyrrolidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine?
N-[[6-(3,4-dimethylpyrrolidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine has a molecular weight of 248.37 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3,4-dimethylpyrrolidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 79183359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).