4-phenyl-N-(pyridazin-3-ylmethyl)butan-1-amine

C15H19N3 — CID 106895580

IUPAC4-phenyl-N-(pyridazin-3-ylmethyl)butan-1-amine
SMILESc1ccc(CCCCNCc2cccnn2)cc1
InChIInChI=1S/C15H19N3/c1-2-7-14(8-3-1)9-4-5-11-16-13-15-10-6-12-17-18-15/h1-3,6-8,10,12,16H,4-5,9,11,13H2
InChIKeyMPMQTJNKVNMAHW-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.59
Rot. Bonds7

About 4-phenyl-N-(pyridazin-3-ylmethyl)butan-1-amine

4-phenyl-N-(pyridazin-3-ylmethyl)butan-1-amine (PubChem CID 106895580) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 4-phenyl-N-(pyridazin-3-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name4-phenyl-N-(pyridazin-3-ylmethyl)butan-1-amine
PubChem CID106895580
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name4-phenyl-N-(pyridazin-3-ylmethyl)butan-1-amine
SMILESc1ccc(CCCCNCc2cccnn2)cc1
InChIInChI=1S/C15H19N3/c1-2-7-14(8-3-1)9-4-5-11-16-13-15-10-6-12-17-18-15/h1-3,6-8,10,12,16H,4-5,9,11,13H2
InChIKeyMPMQTJNKVNMAHW-UHFFFAOYSA-N
XLogP2.59
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(pyridazin-3-ylmethylamino)pentanoic acid
CID 106896706
4-methoxy-N-(pyridazin-3-ylmethyl)butan-1-amine
CID 106895756
(1R)-1-phenyl-3-(pyridazin-3-ylmethylamino)propan-1-ol
CID 112742140
4-pyridin-2-yl-N-(pyridin-2-ylmethyl)butan-1-amine
CID 158855450
N-[(2-methoxy-3-pyridinyl)methyl]-4-phenylbutan-1-amine
CID 114333213
N-[(1-tert-butyltriazol-4-yl)methyl]-3-phenylpropan-1-amine
CID 103398586
2-ethylsulfonyl-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895585
N-(1,2-oxazol-3-ylmethyl)-3-phenylpropan-1-amine
CID 81170977
6-(benzylamino)hexyl-(4-phenylbutyl)oxidanium
CID 145375829
N'-(4-phenylbutyl)methanediamine;trihydrochloride
CID 140993872
N-(pyridazin-3-ylmethyl)formamide
CID 23498776
N-(4-chlorobutyl)-4-phenylbutan-1-amine
CID 106844243

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(pyridazin-3-ylmethyl)butan-1-amine?
The IUPAC name of 4-phenyl-N-(pyridazin-3-ylmethyl)butan-1-amine (CID 106895580) is 4-phenyl-N-(pyridazin-3-ylmethyl)butan-1-amine.
What is the SMILES notation for 4-phenyl-N-(pyridazin-3-ylmethyl)butan-1-amine?
The canonical SMILES for 4-phenyl-N-(pyridazin-3-ylmethyl)butan-1-amine is c1ccc(CCCCNCc2cccnn2)cc1.
What is the InChIKey of 4-phenyl-N-(pyridazin-3-ylmethyl)butan-1-amine?
The InChIKey is MPMQTJNKVNMAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-2-7-14(8-3-1)9-4-5-11-16-13-15-10-6-12-17-18-15/h1-3,6-8,10,12,16H,4-5,9,11,13H2.
What are the key properties of 4-phenyl-N-(pyridazin-3-ylmethyl)butan-1-amine?
4-phenyl-N-(pyridazin-3-ylmethyl)butan-1-amine has a molecular weight of 241.34 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(pyridazin-3-ylmethyl)butan-1-amine is sourced from PubChem (CID 106895580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).