3-hexyl-6-[4-[3-[(2S)-2-methylbutoxy]propoxy]phenyl]pyridazine

C24H36N2O2 — CID 54283089

IUPAC3-hexyl-6-[4-[3-[(2S)-2-methylbutoxy]propoxy]phenyl]pyridazine
SMILESCCCCCCc1ccc(-c2ccc(OCCCOC[C@@H](C)CC)cc2)nn1
InChIInChI=1S/C24H36N2O2/c1-4-6-7-8-10-22-13-16-24(26-25-22)21-11-14-23(15-12-21)28-18-9-17-27-19-20(3)5-2/h11-16,20H,4-10,17-19H2,1-3H3/t20-/m0/s1
InChIKeyRSDVAGLQQBYVPX-FQEVSTJZSA-N
MW384.56 g/mol
LogP6.10
Rot. Bonds14

About 3-hexyl-6-[4-[3-[(2S)-2-methylbutoxy]propoxy]phenyl]pyridazine

3-hexyl-6-[4-[3-[(2S)-2-methylbutoxy]propoxy]phenyl]pyridazine (PubChem CID 54283089) has the molecular formula C24H36N2O2 and a molecular weight of 384.56 g/mol. Its IUPAC name is 3-hexyl-6-[4-[3-[(2S)-2-methylbutoxy]propoxy]phenyl]pyridazine.

Molecular Properties

Compound Name3-hexyl-6-[4-[3-[(2S)-2-methylbutoxy]propoxy]phenyl]pyridazine
PubChem CID54283089
Molecular FormulaC24H36N2O2
Molecular Weight384.56 g/mol
Exact Mass384.28
IUPAC Name3-hexyl-6-[4-[3-[(2S)-2-methylbutoxy]propoxy]phenyl]pyridazine
SMILESCCCCCCc1ccc(-c2ccc(OCCCOC[C@@H](C)CC)cc2)nn1
InChIInChI=1S/C24H36N2O2/c1-4-6-7-8-10-22-13-16-24(26-25-22)21-11-14-23(15-12-21)28-18-9-17-27-19-20(3)5-2/h11-16,20H,4-10,17-19H2,1-3H3/t20-/m0/s1
InChIKeyRSDVAGLQQBYVPX-FQEVSTJZSA-N
XLogP6.10
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.56
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-dodecoxyphenyl)-6-(2-methylbutoxy)pyridazine;3-(2-methylbutoxy)-6-(4-undecoxyphenyl)pyridazine
CID 70427294
2-[4-[4-[(2S)-2-methylbutoxy]butoxy]phenyl]-5-octylpyrimidine
CID 18611646
3,6-bis(4-decoxyphenyl)pyridazine
CID 101171713
7-[4-(6-pentylpyridazin-3-yl)phenoxy]heptyl acetate
CID 21049744
3-(4-hexoxyphenyl)-6-[2-(4-propylcyclohexyl)ethyl]pyridazine
CID 139779161
2-decyl-5-[4-(2-methylbutoxy)phenyl]pyridine
CID 19867178
3-(4-heptoxyphenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine
CID 139778646
3-[2-(4-ethylcyclohexyl)ethyl]-6-(4-heptoxyphenyl)pyridazine
CID 139778846
2-[4-(2-methylbutoxy)phenyl]-5-octoxypyridine
CID 23181046
5-decyl-2-[4-(4-methylhexoxy)phenyl]pyridine
CID 14401544
3-(4-butoxyphenyl)-6-[2-(4-propylcyclohexyl)ethyl]pyridazine
CID 139778924
5-heptyl-2-[4-(2-methylbutoxy)phenyl]pyridine
CID 67813109

Frequently Asked Questions

What is the IUPAC name of 3-hexyl-6-[4-[3-[(2S)-2-methylbutoxy]propoxy]phenyl]pyridazine?
The IUPAC name of 3-hexyl-6-[4-[3-[(2S)-2-methylbutoxy]propoxy]phenyl]pyridazine (CID 54283089) is 3-hexyl-6-[4-[3-[(2S)-2-methylbutoxy]propoxy]phenyl]pyridazine.
What is the SMILES notation for 3-hexyl-6-[4-[3-[(2S)-2-methylbutoxy]propoxy]phenyl]pyridazine?
The canonical SMILES for 3-hexyl-6-[4-[3-[(2S)-2-methylbutoxy]propoxy]phenyl]pyridazine is CCCCCCc1ccc(-c2ccc(OCCCOC[C@@H](C)CC)cc2)nn1.
What is the InChIKey of 3-hexyl-6-[4-[3-[(2S)-2-methylbutoxy]propoxy]phenyl]pyridazine?
The InChIKey is RSDVAGLQQBYVPX-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H36N2O2/c1-4-6-7-8-10-22-13-16-24(26-25-22)21-11-14-23(15-12-21)28-18-9-17-27-19-20(3)5-2/h11-16,20H,4-10,17-19H2,1-3H3/t20-/m0/s1.
What are the key properties of 3-hexyl-6-[4-[3-[(2S)-2-methylbutoxy]propoxy]phenyl]pyridazine?
3-hexyl-6-[4-[3-[(2S)-2-methylbutoxy]propoxy]phenyl]pyridazine has a molecular weight of 384.56 g/mol, XLogP of 6.10, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexyl-6-[4-[3-[(2S)-2-methylbutoxy]propoxy]phenyl]pyridazine is sourced from PubChem (CID 54283089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).