8-N-hexylquinoline-7,8-diamine;dihydrochloride

C15H23Cl2N3 — CID 12887821

IUPAC8-N-hexylquinoline-7,8-diamine;dihydrochloride
SMILESCCCCCCNc1c(N)ccc2cccnc12.Cl.Cl
InChIInChI=1S/C15H21N3.2ClH/c1-2-3-4-5-10-18-15-13(16)9-8-12-7-6-11-17-14(12)15;;/h6-9,11,18H,2-5,10,16H2,1H3;2*1H
InChIKeyVOCPAOGLQCFLCI-UHFFFAOYSA-N
MW316.28 g/mol
LogP4.65
Rot. Bonds6

About 8-N-hexylquinoline-7,8-diamine;dihydrochloride

8-N-hexylquinoline-7,8-diamine;dihydrochloride (PubChem CID 12887821) has the molecular formula C15H23Cl2N3 and a molecular weight of 316.28 g/mol. Its IUPAC name is 8-N-hexylquinoline-7,8-diamine;dihydrochloride.

Molecular Properties

Compound Name8-N-hexylquinoline-7,8-diamine;dihydrochloride
PubChem CID12887821
Molecular FormulaC15H23Cl2N3
Molecular Weight316.28 g/mol
Exact Mass315.13
IUPAC Name8-N-hexylquinoline-7,8-diamine;dihydrochloride
SMILESCCCCCCNc1c(N)ccc2cccnc12.Cl.Cl
InChIInChI=1S/C15H21N3.2ClH/c1-2-3-4-5-10-18-15-13(16)9-8-12-7-6-11-17-14(12)15;;/h6-9,11,18H,2-5,10,16H2,1H3;2*1H
InChIKeyVOCPAOGLQCFLCI-UHFFFAOYSA-N
XLogP4.65
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-N-hexylquinoline-7,8-diamine;dihydrochloride?
The IUPAC name of 8-N-hexylquinoline-7,8-diamine;dihydrochloride (CID 12887821) is 8-N-hexylquinoline-7,8-diamine;dihydrochloride.
What is the SMILES notation for 8-N-hexylquinoline-7,8-diamine;dihydrochloride?
The canonical SMILES for 8-N-hexylquinoline-7,8-diamine;dihydrochloride is CCCCCCNc1c(N)ccc2cccnc12.Cl.Cl.
What is the InChIKey of 8-N-hexylquinoline-7,8-diamine;dihydrochloride?
The InChIKey is VOCPAOGLQCFLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3.2ClH/c1-2-3-4-5-10-18-15-13(16)9-8-12-7-6-11-17-14(12)15;;/h6-9,11,18H,2-5,10,16H2,1H3;2*1H.
What are the key properties of 8-N-hexylquinoline-7,8-diamine;dihydrochloride?
8-N-hexylquinoline-7,8-diamine;dihydrochloride has a molecular weight of 316.28 g/mol, XLogP of 4.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-hexylquinoline-7,8-diamine;dihydrochloride is sourced from PubChem (CID 12887821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).