N'-(6-cyclopentylpyridazin-3-yl)-N-methylpropane-1,3-diamine

C13H22N4 — CID 116970742

IUPACN'-(6-cyclopentylpyridazin-3-yl)-N-methylpropane-1,3-diamine
SMILESCNCCCNc1ccc(C2CCCC2)nn1
InChIInChI=1S/C13H22N4/c1-14-9-4-10-15-13-8-7-12(16-17-13)11-5-2-3-6-11/h7-8,11,14H,2-6,9-10H2,1H3,(H,15,17)
InChIKeyJZGYDKKFJDLVAM-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.16
Rot. Bonds6

About N'-(6-cyclopentylpyridazin-3-yl)-N-methylpropane-1,3-diamine

N'-(6-cyclopentylpyridazin-3-yl)-N-methylpropane-1,3-diamine (PubChem CID 116970742) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N'-(6-cyclopentylpyridazin-3-yl)-N-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(6-cyclopentylpyridazin-3-yl)-N-methylpropane-1,3-diamine
PubChem CID116970742
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN'-(6-cyclopentylpyridazin-3-yl)-N-methylpropane-1,3-diamine
SMILESCNCCCNc1ccc(C2CCCC2)nn1
InChIInChI=1S/C13H22N4/c1-14-9-4-10-15-13-8-7-12(16-17-13)11-5-2-3-6-11/h7-8,11,14H,2-6,9-10H2,1H3,(H,15,17)
InChIKeyJZGYDKKFJDLVAM-UHFFFAOYSA-N
XLogP2.16
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.16
H-Bond Donors ≤ 52
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-cyclopentylpyridazin-3-yl)-N-methylpropane-1,3-diamine?
The IUPAC name of N'-(6-cyclopentylpyridazin-3-yl)-N-methylpropane-1,3-diamine (CID 116970742) is N'-(6-cyclopentylpyridazin-3-yl)-N-methylpropane-1,3-diamine.
What is the SMILES notation for N'-(6-cyclopentylpyridazin-3-yl)-N-methylpropane-1,3-diamine?
The canonical SMILES for N'-(6-cyclopentylpyridazin-3-yl)-N-methylpropane-1,3-diamine is CNCCCNc1ccc(C2CCCC2)nn1.
What is the InChIKey of N'-(6-cyclopentylpyridazin-3-yl)-N-methylpropane-1,3-diamine?
The InChIKey is JZGYDKKFJDLVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-14-9-4-10-15-13-8-7-12(16-17-13)11-5-2-3-6-11/h7-8,11,14H,2-6,9-10H2,1H3,(H,15,17).
What are the key properties of N'-(6-cyclopentylpyridazin-3-yl)-N-methylpropane-1,3-diamine?
N'-(6-cyclopentylpyridazin-3-yl)-N-methylpropane-1,3-diamine has a molecular weight of 234.35 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-cyclopentylpyridazin-3-yl)-N-methylpropane-1,3-diamine is sourced from PubChem (CID 116970742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).