N-[3-(2-methylpiperidin-1-yl)propyl]pyridazin-3-amine

C13H22N4 — CID 62483663

IUPACN-[3-(2-methylpiperidin-1-yl)propyl]pyridazin-3-amine
SMILESCC1CCCCN1CCCNc1cccnn1
InChIInChI=1S/C13H22N4/c1-12-6-2-3-10-17(12)11-5-8-14-13-7-4-9-15-16-13/h4,7,9,12H,2-3,5-6,8,10-11H2,1H3,(H,14,16)
InChIKeyRLAHGPXDMATFDJ-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.15
Rot. Bonds5

About N-[3-(2-methylpiperidin-1-yl)propyl]pyridazin-3-amine

N-[3-(2-methylpiperidin-1-yl)propyl]pyridazin-3-amine (PubChem CID 62483663) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N-[3-(2-methylpiperidin-1-yl)propyl]pyridazin-3-amine.

Molecular Properties

Compound NameN-[3-(2-methylpiperidin-1-yl)propyl]pyridazin-3-amine
PubChem CID62483663
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN-[3-(2-methylpiperidin-1-yl)propyl]pyridazin-3-amine
SMILESCC1CCCCN1CCCNc1cccnn1
InChIInChI=1S/C13H22N4/c1-12-6-2-3-10-17(12)11-5-8-14-13-7-4-9-15-16-13/h4,7,9,12H,2-3,5-6,8,10-11H2,1H3,(H,14,16)
InChIKeyRLAHGPXDMATFDJ-UHFFFAOYSA-N
XLogP2.15
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.15
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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Related Compounds

5-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]pyridazin-3-amine
CID 106549461
2-[3-(2-methylpiperidin-1-yl)propylamino]pyridine-4-carboxylic acid
CID 43176732
6-N,2-dimethyl-4-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-4,6-diamine
CID 80785894
6-methoxy-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2,5-diamine
CID 43261071
4-N-(3-methylbutyl)-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-2,4-diamine
CID 154463494
6-ethoxy-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2,5-diamine
CID 43261070
N-(2-cyclopentylethyl)pyridazin-3-amine
CID 62482015
5,6-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1,2,4-triazin-3-amine
CID 114448150
N-[3-(2-methylpiperidin-1-yl)propyl]-1H-indazol-3-amine
CID 3068040
4-N,4-N-dimethyl-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-2,4-diamine
CID 133383415
3-[(2R)-2-methylpiperidin-1-yl]-N-[[4-[[3-[(2R)-2-methylpiperidin-1-yl]propylamino]methyl]phenyl]methyl]propan-1-amine
CID 71451639
3-[(2S)-2-methylpiperidin-1-yl]-N-[[4-[[3-[(2S)-2-methylpiperidin-1-yl]propylamino]methyl]phenyl]methyl]propan-1-amine
CID 71455186

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpiperidin-1-yl)propyl]pyridazin-3-amine?
The IUPAC name of N-[3-(2-methylpiperidin-1-yl)propyl]pyridazin-3-amine (CID 62483663) is N-[3-(2-methylpiperidin-1-yl)propyl]pyridazin-3-amine.
What is the SMILES notation for N-[3-(2-methylpiperidin-1-yl)propyl]pyridazin-3-amine?
The canonical SMILES for N-[3-(2-methylpiperidin-1-yl)propyl]pyridazin-3-amine is CC1CCCCN1CCCNc1cccnn1.
What is the InChIKey of N-[3-(2-methylpiperidin-1-yl)propyl]pyridazin-3-amine?
The InChIKey is RLAHGPXDMATFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-12-6-2-3-10-17(12)11-5-8-14-13-7-4-9-15-16-13/h4,7,9,12H,2-3,5-6,8,10-11H2,1H3,(H,14,16).
What are the key properties of N-[3-(2-methylpiperidin-1-yl)propyl]pyridazin-3-amine?
N-[3-(2-methylpiperidin-1-yl)propyl]pyridazin-3-amine has a molecular weight of 234.35 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpiperidin-1-yl)propyl]pyridazin-3-amine is sourced from PubChem (CID 62483663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).