N-[[6-(azepan-1-yl)pyridazin-3-yl]methyl]propan-1-amine

C14H24N4 — CID 62284754

IUPACN-[[6-(azepan-1-yl)pyridazin-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(N2CCCCCC2)nn1
InChIInChI=1S/C14H24N4/c1-2-9-15-12-13-7-8-14(17-16-13)18-10-5-3-4-6-11-18/h7-8,15H,2-6,9-12H2,1H3
InChIKeyCBKVDADUHPKIMI-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.36
Rot. Bonds5

About N-[[6-(azepan-1-yl)pyridazin-3-yl]methyl]propan-1-amine

N-[[6-(azepan-1-yl)pyridazin-3-yl]methyl]propan-1-amine (PubChem CID 62284754) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[[6-(azepan-1-yl)pyridazin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-(azepan-1-yl)pyridazin-3-yl]methyl]propan-1-amine
PubChem CID62284754
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC NameN-[[6-(azepan-1-yl)pyridazin-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(N2CCCCCC2)nn1
InChIInChI=1S/C14H24N4/c1-2-9-15-12-13-7-8-14(17-16-13)18-10-5-3-4-6-11-18/h7-8,15H,2-6,9-12H2,1H3
InChIKeyCBKVDADUHPKIMI-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
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-(azepan-1-yl)pyridazin-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[6-(azepan-1-yl)pyridazin-3-yl]methyl]propan-1-amine (CID 62284754) is N-[[6-(azepan-1-yl)pyridazin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-(azepan-1-yl)pyridazin-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-(azepan-1-yl)pyridazin-3-yl]methyl]propan-1-amine is CCCNCc1ccc(N2CCCCCC2)nn1.
What is the InChIKey of N-[[6-(azepan-1-yl)pyridazin-3-yl]methyl]propan-1-amine?
The InChIKey is CBKVDADUHPKIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-2-9-15-12-13-7-8-14(17-16-13)18-10-5-3-4-6-11-18/h7-8,15H,2-6,9-12H2,1H3.
What are the key properties of N-[[6-(azepan-1-yl)pyridazin-3-yl]methyl]propan-1-amine?
N-[[6-(azepan-1-yl)pyridazin-3-yl]methyl]propan-1-amine has a molecular weight of 248.37 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 N-[[6-(azepan-1-yl)pyridazin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 62284754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).