N-(7-methyloctyl)pyridazin-3-amine

C13H23N3 — CID 107816275

IUPACN-(7-methyloctyl)pyridazin-3-amine
SMILESCC(C)CCCCCCNc1cccnn1
InChIInChI=1S/C13H23N3/c1-12(2)8-5-3-4-6-10-14-13-9-7-11-15-16-13/h7,9,11-12H,3-6,8,10H2,1-2H3,(H,14,16)
InChIKeySMKQBSVETYUQQL-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.49
Rot. Bonds8

About N-(7-methyloctyl)pyridazin-3-amine

N-(7-methyloctyl)pyridazin-3-amine (PubChem CID 107816275) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-(7-methyloctyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-(7-methyloctyl)pyridazin-3-amine
PubChem CID107816275
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-(7-methyloctyl)pyridazin-3-amine
SMILESCC(C)CCCCCCNc1cccnn1
InChIInChI=1S/C13H23N3/c1-12(2)8-5-3-4-6-10-14-13-9-7-11-15-16-13/h7,9,11-12H,3-6,8,10H2,1-2H3,(H,14,16)
InChIKeySMKQBSVETYUQQL-UHFFFAOYSA-N
XLogP3.49
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-methyl-N-(7-methyloctyl)pyridin-2-amine
CID 107816090
6-N-(7-methyloctyl)-2-N-propylpyridine-2,6-diamine
CID 107818930
6-chloro-N-(7-methyloctyl)pyridin-2-amine
CID 107817529
6-N-(7-methyloctyl)pyridine-2,6-diamine
CID 114004472
1-(pyridazin-3-ylamino)pentan-3-ol
CID 115702161
6-bromo-N-(5-methylhexyl)pyridin-2-amine
CID 115326764
2-methyl-N-(7-methyloctyl)pyrimidin-4-amine
CID 107816212
N-octan-2-ylpyridazin-3-amine
CID 62481019
N-(18-methylnonadecyl)aniline;hydrochloride
CID 173012868
6-chloro-N-(4-methylpentyl)pyridazin-3-amine
CID 61039068
5-fluoro-N-(7-methyloctyl)pyridin-2-amine
CID 107816143
N-[3-(2-chloroethoxy)propyl]pyridazin-3-amine
CID 106306361

Frequently Asked Questions

What is the IUPAC name of N-(7-methyloctyl)pyridazin-3-amine?
The IUPAC name of N-(7-methyloctyl)pyridazin-3-amine (CID 107816275) is N-(7-methyloctyl)pyridazin-3-amine.
What is the SMILES notation for N-(7-methyloctyl)pyridazin-3-amine?
The canonical SMILES for N-(7-methyloctyl)pyridazin-3-amine is CC(C)CCCCCCNc1cccnn1.
What is the InChIKey of N-(7-methyloctyl)pyridazin-3-amine?
The InChIKey is SMKQBSVETYUQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-12(2)8-5-3-4-6-10-14-13-9-7-11-15-16-13/h7,9,11-12H,3-6,8,10H2,1-2H3,(H,14,16).
What are the key properties of N-(7-methyloctyl)pyridazin-3-amine?
N-(7-methyloctyl)pyridazin-3-amine has a molecular weight of 221.35 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methyloctyl)pyridazin-3-amine is sourced from PubChem (CID 107816275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).