N-methyl-N-(oxolan-2-ylmethyl)-6-(propylaminomethyl)pyridazin-3-amine

C14H24N4O — CID 62294783

IUPACN-methyl-N-(oxolan-2-ylmethyl)-6-(propylaminomethyl)pyridazin-3-amine
SMILESCCCNCc1ccc(N(C)CC2CCCO2)nn1
InChIInChI=1S/C14H24N4O/c1-3-8-15-10-12-6-7-14(17-16-12)18(2)11-13-5-4-9-19-13/h6-7,13,15H,3-5,8-11H2,1-2H3
InChIKeyBMKVHWSCVQNYCF-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.59
Rot. Bonds7

About N-methyl-N-(oxolan-2-ylmethyl)-6-(propylaminomethyl)pyridazin-3-amine

N-methyl-N-(oxolan-2-ylmethyl)-6-(propylaminomethyl)pyridazin-3-amine (PubChem CID 62294783) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is N-methyl-N-(oxolan-2-ylmethyl)-6-(propylaminomethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-methyl-N-(oxolan-2-ylmethyl)-6-(propylaminomethyl)pyridazin-3-amine
PubChem CID62294783
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC NameN-methyl-N-(oxolan-2-ylmethyl)-6-(propylaminomethyl)pyridazin-3-amine
SMILESCCCNCc1ccc(N(C)CC2CCCO2)nn1
InChIInChI=1S/C14H24N4O/c1-3-8-15-10-12-6-7-14(17-16-12)18(2)11-13-5-4-9-19-13/h6-7,13,15H,3-5,8-11H2,1-2H3
InChIKeyBMKVHWSCVQNYCF-UHFFFAOYSA-N
XLogP1.59
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(oxolan-2-ylmethyl)-5-(propylaminomethyl)pyridin-2-amine
CID 55059023
N-methyl-6-(methylaminomethyl)-N-(oxan-2-ylmethyl)pyridazin-3-amine
CID 62281999
6-[(cyclopropylamino)methyl]-N-methyl-N-(oxan-2-ylmethyl)pyridazin-3-amine
CID 62281484
N-methyl-N-(oxolan-2-ylmethyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106970695
N-[[5-[[methyl(oxan-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62430126
N-(1-ethylpiperidin-4-yl)-N-methyl-6-(propylaminomethyl)pyridazin-3-amine
CID 62294145
N-(furan-3-ylmethyl)-N-methyl-6-(propylaminomethyl)pyridazin-3-amine
CID 55059703
N-[[1-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]propan-1-amine
CID 106719035
N-[[1-[2-[ethyl(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 62429644
N,3-dimethyl-N-(oxan-2-ylmethyl)-5-(propylaminomethyl)pyridin-2-amine
CID 80631876
N-methyl-6-(propylaminomethyl)-N-(thiolan-3-yl)pyridazin-3-amine
CID 62280603
5-N-methyl-5-N-(oxolan-2-ylmethyl)-3-N-propylpyridine-3,5-diamine
CID 104533314

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxolan-2-ylmethyl)-6-(propylaminomethyl)pyridazin-3-amine?
The IUPAC name of N-methyl-N-(oxolan-2-ylmethyl)-6-(propylaminomethyl)pyridazin-3-amine (CID 62294783) is N-methyl-N-(oxolan-2-ylmethyl)-6-(propylaminomethyl)pyridazin-3-amine.
What is the SMILES notation for N-methyl-N-(oxolan-2-ylmethyl)-6-(propylaminomethyl)pyridazin-3-amine?
The canonical SMILES for N-methyl-N-(oxolan-2-ylmethyl)-6-(propylaminomethyl)pyridazin-3-amine is CCCNCc1ccc(N(C)CC2CCCO2)nn1.
What is the InChIKey of N-methyl-N-(oxolan-2-ylmethyl)-6-(propylaminomethyl)pyridazin-3-amine?
The InChIKey is BMKVHWSCVQNYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-3-8-15-10-12-6-7-14(17-16-12)18(2)11-13-5-4-9-19-13/h6-7,13,15H,3-5,8-11H2,1-2H3.
What are the key properties of N-methyl-N-(oxolan-2-ylmethyl)-6-(propylaminomethyl)pyridazin-3-amine?
N-methyl-N-(oxolan-2-ylmethyl)-6-(propylaminomethyl)pyridazin-3-amine has a molecular weight of 264.37 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxolan-2-ylmethyl)-6-(propylaminomethyl)pyridazin-3-amine is sourced from PubChem (CID 62294783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).