8-N-(3,4-dimethylcyclohexyl)quinoline-5,8-diamine

C17H23N3 — CID 64740512

IUPAC8-N-(3,4-dimethylcyclohexyl)quinoline-5,8-diamine
SMILESCC1CCC(Nc2ccc(N)c3cccnc23)CC1C
InChIInChI=1S/C17H23N3/c1-11-5-6-13(10-12(11)2)20-16-8-7-15(18)14-4-3-9-19-17(14)16/h3-4,7-9,11-13,20H,5-6,10,18H2,1-2H3
InChIKeyBJTAVMCISGIBNC-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.05
Rot. Bonds2

About 8-N-(3,4-dimethylcyclohexyl)quinoline-5,8-diamine

8-N-(3,4-dimethylcyclohexyl)quinoline-5,8-diamine (PubChem CID 64740512) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 8-N-(3,4-dimethylcyclohexyl)quinoline-5,8-diamine.

Molecular Properties

Compound Name8-N-(3,4-dimethylcyclohexyl)quinoline-5,8-diamine
PubChem CID64740512
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name8-N-(3,4-dimethylcyclohexyl)quinoline-5,8-diamine
SMILESCC1CCC(Nc2ccc(N)c3cccnc23)CC1C
InChIInChI=1S/C17H23N3/c1-11-5-6-13(10-12(11)2)20-16-8-7-15(18)14-4-3-9-19-17(14)16/h3-4,7-9,11-13,20H,5-6,10,18H2,1-2H3
InChIKeyBJTAVMCISGIBNC-UHFFFAOYSA-N
XLogP4.05
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-N-(3,4-dimethylcyclohexyl)quinoline-5,8-diamine?
The IUPAC name of 8-N-(3,4-dimethylcyclohexyl)quinoline-5,8-diamine (CID 64740512) is 8-N-(3,4-dimethylcyclohexyl)quinoline-5,8-diamine.
What is the SMILES notation for 8-N-(3,4-dimethylcyclohexyl)quinoline-5,8-diamine?
The canonical SMILES for 8-N-(3,4-dimethylcyclohexyl)quinoline-5,8-diamine is CC1CCC(Nc2ccc(N)c3cccnc23)CC1C.
What is the InChIKey of 8-N-(3,4-dimethylcyclohexyl)quinoline-5,8-diamine?
The InChIKey is BJTAVMCISGIBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-11-5-6-13(10-12(11)2)20-16-8-7-15(18)14-4-3-9-19-17(14)16/h3-4,7-9,11-13,20H,5-6,10,18H2,1-2H3.
What are the key properties of 8-N-(3,4-dimethylcyclohexyl)quinoline-5,8-diamine?
8-N-(3,4-dimethylcyclohexyl)quinoline-5,8-diamine has a molecular weight of 269.39 g/mol, XLogP of 4.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-(3,4-dimethylcyclohexyl)quinoline-5,8-diamine is sourced from PubChem (CID 64740512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).