2-N-[(6-methoxypyridazin-3-yl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine

C13H24N4O — CID 114268584

IUPAC2-N-[(6-methoxypyridazin-3-yl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
SMILESCOc1ccc(CNC(CN(C)C)C(C)C)nn1
InChIInChI=1S/C13H24N4O/c1-10(2)12(9-17(3)4)14-8-11-6-7-13(18-5)16-15-11/h6-7,10,12,14H,8-9H2,1-5H3
InChIKeyVFIRSCUXJDQYQR-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.16
Rot. Bonds7

About 2-N-[(6-methoxypyridazin-3-yl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine

2-N-[(6-methoxypyridazin-3-yl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine (PubChem CID 114268584) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-N-[(6-methoxypyridazin-3-yl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(6-methoxypyridazin-3-yl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
PubChem CID114268584
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-N-[(6-methoxypyridazin-3-yl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
SMILESCOc1ccc(CNC(CN(C)C)C(C)C)nn1
InChIInChI=1S/C13H24N4O/c1-10(2)12(9-17(3)4)14-8-11-6-7-13(18-5)16-15-11/h6-7,10,12,14H,8-9H2,1-5H3
InChIKeyVFIRSCUXJDQYQR-UHFFFAOYSA-N
XLogP1.16
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-N-[(6-methoxypyridazin-3-yl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine with MolForge

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Related Compounds

N-[(6-methoxypyridazin-3-yl)methyl]-1-phenylethanamine
CID 114268555
(1R)-N-[(6-methoxypyridazin-3-yl)methyl]-1-pyrimidin-2-ylethanamine
CID 156830398
2-N-[(6-bromo-2-pyridinyl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 112582243
(1R)-1-cyclopentyl-N-[(6-methoxypyridazin-3-yl)methyl]ethanamine
CID 114268609
2-amino-N-[(6-methoxypyridazin-3-yl)methyl]-3-methylbutanamide
CID 77144650
N-[[6-[(4-methoxyphenyl)methoxy]pyridazin-3-yl]methyl]propan-2-amine
CID 62291863
2-N-[[4-(dimethylamino)phenyl]methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61476450
1-N,1-N,3-trimethyl-2-N-[(2-methylpyrazol-3-yl)methyl]butane-1,2-diamine
CID 61476932
2-N-[(4-ethoxyphenyl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61476639
3-methoxy-6-(methoxymethyl)pyridazine
CID 117104950
2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetonitrile
CID 61480297
1-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-3-methylbutan-2-amine
CID 79259192

Frequently Asked Questions

What is the IUPAC name of 2-N-[(6-methoxypyridazin-3-yl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine?
The IUPAC name of 2-N-[(6-methoxypyridazin-3-yl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine (CID 114268584) is 2-N-[(6-methoxypyridazin-3-yl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine.
What is the SMILES notation for 2-N-[(6-methoxypyridazin-3-yl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine?
The canonical SMILES for 2-N-[(6-methoxypyridazin-3-yl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine is COc1ccc(CNC(CN(C)C)C(C)C)nn1.
What is the InChIKey of 2-N-[(6-methoxypyridazin-3-yl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine?
The InChIKey is VFIRSCUXJDQYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-10(2)12(9-17(3)4)14-8-11-6-7-13(18-5)16-15-11/h6-7,10,12,14H,8-9H2,1-5H3.
What are the key properties of 2-N-[(6-methoxypyridazin-3-yl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine?
2-N-[(6-methoxypyridazin-3-yl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine has a molecular weight of 252.36 g/mol, XLogP of 1.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(6-methoxypyridazin-3-yl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine is sourced from PubChem (CID 114268584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).