N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine

C15H26N4 — CID 104670279

IUPACN-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
SMILESCCc1nnc(C)cc1CNCCCN1CCCC1
InChIInChI=1S/C15H26N4/c1-3-15-14(11-13(2)17-18-15)12-16-7-6-10-19-8-4-5-9-19/h11,16H,3-10,12H2,1-2H3
InChIKeyZYDGOTRGQNRYRO-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.92
Rot. Bonds7

About N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine

N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine (PubChem CID 104670279) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
PubChem CID104670279
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC NameN-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
SMILESCCc1nnc(C)cc1CNCCCN1CCCC1
InChIInChI=1S/C15H26N4/c1-3-15-14(11-13(2)17-18-15)12-16-7-6-10-19-8-4-5-9-19/h11,16H,3-10,12H2,1-2H3
InChIKeyZYDGOTRGQNRYRO-UHFFFAOYSA-N
XLogP1.92
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.92
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

N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-2-piperidin-1-ylethanamine
CID 104670179
N'-[(3-ethyl-6-methylpyridazin-4-yl)methyl]propane-1,3-diamine
CID 104670250
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 112549208
N'-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-N-methylethane-1,2-diamine
CID 104670150
N-[(2-methyl-3-pyridinyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 112689529
N-[(2,4-dibromophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 107938811
N-[(5-methylpyrazin-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 112700188
4-methyl-2-[(3-piperidin-1-ylpropylamino)methyl]phenol
CID 55203597
2-(azepan-1-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]ethanamine
CID 112549234
N-[(2,3-dimethylphenyl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 54941227
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 115885360
N-[(3-chloro-2-methylphenyl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 107096728

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine (CID 104670279) is N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine is CCc1nnc(C)cc1CNCCCN1CCCC1.
What is the InChIKey of N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is ZYDGOTRGQNRYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-3-15-14(11-13(2)17-18-15)12-16-7-6-10-19-8-4-5-9-19/h11,16H,3-10,12H2,1-2H3.
What are the key properties of N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine?
N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 104670279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).