N-[(3,6-dimethylpyridazin-4-yl)methyl]propan-2-amine

C10H17N3 — CID 104670093

IUPACN-[(3,6-dimethylpyridazin-4-yl)methyl]propan-2-amine
SMILESCc1cc(CNC(C)C)c(C)nn1
InChIInChI=1S/C10H17N3/c1-7(2)11-6-10-5-8(3)12-13-9(10)4/h5,7,11H,6H2,1-4H3
InChIKeyGKSGHMXLEBOQGC-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.59
Rot. Bonds3

About N-[(3,6-dimethylpyridazin-4-yl)methyl]propan-2-amine

N-[(3,6-dimethylpyridazin-4-yl)methyl]propan-2-amine (PubChem CID 104670093) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is N-[(3,6-dimethylpyridazin-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(3,6-dimethylpyridazin-4-yl)methyl]propan-2-amine
PubChem CID104670093
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC NameN-[(3,6-dimethylpyridazin-4-yl)methyl]propan-2-amine
SMILESCc1cc(CNC(C)C)c(C)nn1
InChIInChI=1S/C10H17N3/c1-7(2)11-6-10-5-8(3)12-13-9(10)4/h5,7,11H,6H2,1-4H3
InChIKeyGKSGHMXLEBOQGC-UHFFFAOYSA-N
XLogP1.59
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-tert-butyl-2-N-[(3,6-dimethylpyridazin-4-yl)methyl]propane-1,2-diamine
CID 104670200
N-[(3,6-dimethylpyridazin-4-yl)methyl]-1-phenylmethanamine
CID 104670125
CID 165403868
CID 165403868
2-N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]propane-1,2-diamine
CID 104670185
N-[(2,5-dimethylphenyl)methyl]propan-2-amine
CID 43090140
N-[(5-methylpyrimidin-2-yl)methyl]propan-2-amine
CID 63321476
N-[[4-methyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]methyl]propan-2-amine
CID 114206488
N-[(2-bromo-5-methylphenyl)methyl]propan-2-amine
CID 81110490
N-[(2-methyl-6-phenyl-3-pyridinyl)methyl]propan-2-amine
CID 82452414
N-[(6-ethyl-2-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)methyl]propan-2-amine
CID 82452377
N-[(2-chloro-4-iodophenyl)methyl]propan-2-amine
CID 130669925
N-[(2,5-dimethoxy-4-methylphenyl)methyl]propan-2-amine
CID 95446206

Frequently Asked Questions

What is the IUPAC name of N-[(3,6-dimethylpyridazin-4-yl)methyl]propan-2-amine?
The IUPAC name of N-[(3,6-dimethylpyridazin-4-yl)methyl]propan-2-amine (CID 104670093) is N-[(3,6-dimethylpyridazin-4-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(3,6-dimethylpyridazin-4-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(3,6-dimethylpyridazin-4-yl)methyl]propan-2-amine is Cc1cc(CNC(C)C)c(C)nn1.
What is the InChIKey of N-[(3,6-dimethylpyridazin-4-yl)methyl]propan-2-amine?
The InChIKey is GKSGHMXLEBOQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-7(2)11-6-10-5-8(3)12-13-9(10)4/h5,7,11H,6H2,1-4H3.
What are the key properties of N-[(3,6-dimethylpyridazin-4-yl)methyl]propan-2-amine?
N-[(3,6-dimethylpyridazin-4-yl)methyl]propan-2-amine has a molecular weight of 179.27 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,6-dimethylpyridazin-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 104670093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).