N-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-2-methylpropan-1-amine

C11H18ClN3 — CID 104513518

IUPACN-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-2-methylpropan-1-amine
SMILESCCN(Cc1ccc(Cl)nn1)CC(C)C
InChIInChI=1S/C11H18ClN3/c1-4-15(7-9(2)3)8-10-5-6-11(12)14-13-10/h5-6,9H,4,7-8H2,1-3H3
InChIKeyUALNLQNSLXTBAM-UHFFFAOYSA-N
MW227.74 g/mol
LogP2.61
Rot. Bonds5

About N-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-2-methylpropan-1-amine

N-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-2-methylpropan-1-amine (PubChem CID 104513518) has the molecular formula C11H18ClN3 and a molecular weight of 227.74 g/mol. Its IUPAC name is N-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-2-methylpropan-1-amine
PubChem CID104513518
Molecular FormulaC11H18ClN3
Molecular Weight227.74 g/mol
Exact Mass227.12
IUPAC NameN-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-2-methylpropan-1-amine
SMILESCCN(Cc1ccc(Cl)nn1)CC(C)C
InChIInChI=1S/C11H18ClN3/c1-4-15(7-9(2)3)8-10-5-6-11(12)14-13-10/h5-6,9H,4,7-8H2,1-3H3
InChIKeyUALNLQNSLXTBAM-UHFFFAOYSA-N
XLogP2.61
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-chloropyridazin-3-yl)methyl]-N,2-diethylbutan-1-amine
CID 104513592
2-[(6-chloropyridazin-3-yl)methyl-ethylamino]-N,N-dimethylacetamide
CID 104513608
N-[(6-chloropyridazin-3-yl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
CID 104513798
N-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-1-methoxypropan-2-amine
CID 104513659
N-[(6-chloropyridazin-3-yl)methyl]-N,3-dimethylbutan-2-amine
CID 104513539
6-[[ethyl(2-methylpropyl)amino]methyl]pyridin-3-ol
CID 82976921
N-[(6-chloropyridazin-3-yl)methyl]-N,3,3-trimethylbutan-2-amine
CID 104513657
2-[(6-chloropyridazin-3-yl)methyl-(2,2-difluoroethyl)amino]ethanol
CID 107479149
N-[(6-chloropyridazin-3-yl)methyl]-N-ethylaniline
CID 104513471
[4-[[ethyl(2-methylpropyl)amino]methyl]phenyl]methanol
CID 112631179
N-[(6-chloropyridazin-3-yl)methyl]-1-cyclopropyl-N-methylethanamine
CID 104513538
2-[(6-chloropyridazin-3-yl)methyl-methylamino]-N-(2-methylpropyl)acetamide
CID 104513833

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-2-methylpropan-1-amine?
The IUPAC name of N-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-2-methylpropan-1-amine (CID 104513518) is N-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-2-methylpropan-1-amine.
What is the SMILES notation for N-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-2-methylpropan-1-amine?
The canonical SMILES for N-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-2-methylpropan-1-amine is CCN(Cc1ccc(Cl)nn1)CC(C)C.
What is the InChIKey of N-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-2-methylpropan-1-amine?
The InChIKey is UALNLQNSLXTBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3/c1-4-15(7-9(2)3)8-10-5-6-11(12)14-13-10/h5-6,9H,4,7-8H2,1-3H3.
What are the key properties of N-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-2-methylpropan-1-amine?
N-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-2-methylpropan-1-amine has a molecular weight of 227.74 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-2-methylpropan-1-amine is sourced from PubChem (CID 104513518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).