N-methyl-6-(methylaminomethyl)-N-(oxan-2-ylmethyl)pyridazin-3-amine

C13H22N4O — CID 62281999

IUPACN-methyl-6-(methylaminomethyl)-N-(oxan-2-ylmethyl)pyridazin-3-amine
SMILESCNCc1ccc(N(C)CC2CCCCO2)nn1
InChIInChI=1S/C13H22N4O/c1-14-9-11-6-7-13(16-15-11)17(2)10-12-5-3-4-8-18-12/h6-7,12,14H,3-5,8-10H2,1-2H3
InChIKeyVGPGXZCWBFUOSY-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.20
Rot. Bonds5

About N-methyl-6-(methylaminomethyl)-N-(oxan-2-ylmethyl)pyridazin-3-amine

N-methyl-6-(methylaminomethyl)-N-(oxan-2-ylmethyl)pyridazin-3-amine (PubChem CID 62281999) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-methyl-6-(methylaminomethyl)-N-(oxan-2-ylmethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-methyl-6-(methylaminomethyl)-N-(oxan-2-ylmethyl)pyridazin-3-amine
PubChem CID62281999
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-methyl-6-(methylaminomethyl)-N-(oxan-2-ylmethyl)pyridazin-3-amine
SMILESCNCc1ccc(N(C)CC2CCCCO2)nn1
InChIInChI=1S/C13H22N4O/c1-14-9-11-6-7-13(16-15-11)17(2)10-12-5-3-4-8-18-12/h6-7,12,14H,3-5,8-10H2,1-2H3
InChIKeyVGPGXZCWBFUOSY-UHFFFAOYSA-N
XLogP1.20
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(cyclopropylamino)methyl]-N-methyl-N-(oxan-2-ylmethyl)pyridazin-3-amine
CID 62281484
N-methyl-N-(oxolan-2-ylmethyl)-6-(propylaminomethyl)pyridazin-3-amine
CID 62294783
N-cyclopentyl-N-methyl-6-(methylaminomethyl)pyridazin-3-amine
CID 62279684
N-methyl-2-(methylaminomethyl)-N-(oxolan-2-ylmethyl)aniline
CID 61431971
5-(bromomethyl)-N-methyl-N-(oxan-2-ylmethyl)pyridin-2-amine
CID 107081253
N-methyl-5-nitro-N-(oxan-2-ylmethyl)pyridin-2-amine
CID 133271782
5-bromo-N,6-dimethyl-N-(oxan-2-ylmethyl)pyridin-2-amine
CID 103915128
6-[(cyclopropylamino)methyl]-N-methyl-N-(oxan-2-ylmethyl)pyridin-2-amine
CID 62281474
N-methyl-6-(methylaminomethyl)-N-(oxan-4-yl)pyridazin-3-amine
CID 62281907
N-methyl-N-(oxan-2-ylmethyl)quinolin-2-amine
CID 133271800
4-chloro-N-methyl-2-(methylaminomethyl)-N-(oxan-2-ylmethyl)aniline
CID 114848966
N-methyl-N-(oxolan-2-ylmethyl)-5-(propylaminomethyl)pyridin-2-amine
CID 55059023

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(methylaminomethyl)-N-(oxan-2-ylmethyl)pyridazin-3-amine?
The IUPAC name of N-methyl-6-(methylaminomethyl)-N-(oxan-2-ylmethyl)pyridazin-3-amine (CID 62281999) is N-methyl-6-(methylaminomethyl)-N-(oxan-2-ylmethyl)pyridazin-3-amine.
What is the SMILES notation for N-methyl-6-(methylaminomethyl)-N-(oxan-2-ylmethyl)pyridazin-3-amine?
The canonical SMILES for N-methyl-6-(methylaminomethyl)-N-(oxan-2-ylmethyl)pyridazin-3-amine is CNCc1ccc(N(C)CC2CCCCO2)nn1.
What is the InChIKey of N-methyl-6-(methylaminomethyl)-N-(oxan-2-ylmethyl)pyridazin-3-amine?
The InChIKey is VGPGXZCWBFUOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-14-9-11-6-7-13(16-15-11)17(2)10-12-5-3-4-8-18-12/h6-7,12,14H,3-5,8-10H2,1-2H3.
What are the key properties of N-methyl-6-(methylaminomethyl)-N-(oxan-2-ylmethyl)pyridazin-3-amine?
N-methyl-6-(methylaminomethyl)-N-(oxan-2-ylmethyl)pyridazin-3-amine has a molecular weight of 250.35 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(methylaminomethyl)-N-(oxan-2-ylmethyl)pyridazin-3-amine is sourced from PubChem (CID 62281999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).