N-[(6-chloropyridazin-3-yl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]ethanamine

C14H17ClN4 — CID 104513798

IUPACN-[(6-chloropyridazin-3-yl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
SMILESCCN(Cc1ccc(Cl)nn1)Cc1cccc(C)n1
InChIInChI=1S/C14H17ClN4/c1-3-19(9-12-6-4-5-11(2)16-12)10-13-7-8-14(15)18-17-13/h4-8H,3,9-10H2,1-2H3
InChIKeyNCSFVIVYFYCGOT-UHFFFAOYSA-N
MW276.77 g/mol
LogP2.86
Rot. Bonds5

About N-[(6-chloropyridazin-3-yl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]ethanamine

N-[(6-chloropyridazin-3-yl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]ethanamine (PubChem CID 104513798) has the molecular formula C14H17ClN4 and a molecular weight of 276.77 g/mol. Its IUPAC name is N-[(6-chloropyridazin-3-yl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(6-chloropyridazin-3-yl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
PubChem CID104513798
Molecular FormulaC14H17ClN4
Molecular Weight276.77 g/mol
Exact Mass276.11
IUPAC NameN-[(6-chloropyridazin-3-yl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
SMILESCCN(Cc1ccc(Cl)nn1)Cc1cccc(C)n1
InChIInChI=1S/C14H17ClN4/c1-3-19(9-12-6-4-5-11(2)16-12)10-13-7-8-14(15)18-17-13/h4-8H,3,9-10H2,1-2H3
InChIKeyNCSFVIVYFYCGOT-UHFFFAOYSA-N
XLogP2.86
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromo-2-pyridinyl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
CID 113254240
N-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-2-methylpropan-1-amine
CID 104513518
1-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-2-methylbutan-2-ol
CID 114495745
(2S)-1-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-2-ol
CID 103935273
N,N'-diethyl-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 79267272
2-[(6-chloropyridazin-3-yl)methyl-ethylamino]-N,N-dimethylacetamide
CID 104513608
N,N-diethylethanamine;2,6-dimethylpyridine
CID 90016440
[6-[[bis[(6-methyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]methanol
CID 102022866
1-[3-[[bis[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]-N,N-bis[(6-methyl-2-pyridinyl)methyl]methanamine
CID 11607609
N-[(6-chloropyridazin-3-yl)methyl]-N-ethylaniline
CID 104513471
2-[2-(aminomethyl)phenyl]-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
CID 81314059
2-N,2-diethyl-2-N-[(6-methyl-2-pyridinyl)methyl]butane-1,2-diamine
CID 79267944

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloropyridazin-3-yl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(6-chloropyridazin-3-yl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]ethanamine (CID 104513798) is N-[(6-chloropyridazin-3-yl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(6-chloropyridazin-3-yl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(6-chloropyridazin-3-yl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]ethanamine is CCN(Cc1ccc(Cl)nn1)Cc1cccc(C)n1.
What is the InChIKey of N-[(6-chloropyridazin-3-yl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]ethanamine?
The InChIKey is NCSFVIVYFYCGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4/c1-3-19(9-12-6-4-5-11(2)16-12)10-13-7-8-14(15)18-17-13/h4-8H,3,9-10H2,1-2H3.
What are the key properties of N-[(6-chloropyridazin-3-yl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]ethanamine?
N-[(6-chloropyridazin-3-yl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]ethanamine has a molecular weight of 276.77 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloropyridazin-3-yl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 104513798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).