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

C17H23N3 — CID 103963377

IUPAC4-N-(3,4-dimethylcyclohexyl)quinoline-3,4-diamine
SMILESCC1CCC(Nc2c(N)cnc3ccccc23)CC1C
InChIInChI=1S/C17H23N3/c1-11-7-8-13(9-12(11)2)20-17-14-5-3-4-6-16(14)19-10-15(17)18/h3-6,10-13H,7-9,18H2,1-2H3,(H,19,20)
InChIKeyNIXYJULMUVMGKR-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.05
Rot. Bonds2

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

4-N-(3,4-dimethylcyclohexyl)quinoline-3,4-diamine (PubChem CID 103963377) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-N-(3,4-dimethylcyclohexyl)quinoline-3,4-diamine.

Molecular Properties

Compound Name4-N-(3,4-dimethylcyclohexyl)quinoline-3,4-diamine
PubChem CID103963377
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name4-N-(3,4-dimethylcyclohexyl)quinoline-3,4-diamine
SMILESCC1CCC(Nc2c(N)cnc3ccccc23)CC1C
InChIInChI=1S/C17H23N3/c1-11-7-8-13(9-12(11)2)20-17-14-5-3-4-6-16(14)19-10-15(17)18/h3-6,10-13H,7-9,18H2,1-2H3,(H,19,20)
InChIKeyNIXYJULMUVMGKR-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

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Related Compounds

Festuclavine
CID 332915
5-Aminoisoquinoline
CID 70766
3-Aminoquinoline
CID 11375
5-Aminoquinoline
CID 11911
4-(4-Dimethylaminostyryl)quinoline
CID 668053
6-Aminoquinoline
CID 11373
8-Aminoquinoline
CID 11359
4-Aminoquinoline
CID 68476
A804598
CID 53325874
7-Aminoquinoline
CID 11377
8-Quinolinamine, 4-methyl-
CID 97374
AG1295
CID 2048

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,4-dimethylcyclohexyl)quinoline-3,4-diamine?
The IUPAC name of 4-N-(3,4-dimethylcyclohexyl)quinoline-3,4-diamine (CID 103963377) is 4-N-(3,4-dimethylcyclohexyl)quinoline-3,4-diamine.
What is the SMILES notation for 4-N-(3,4-dimethylcyclohexyl)quinoline-3,4-diamine?
The canonical SMILES for 4-N-(3,4-dimethylcyclohexyl)quinoline-3,4-diamine is CC1CCC(Nc2c(N)cnc3ccccc23)CC1C.
What is the InChIKey of 4-N-(3,4-dimethylcyclohexyl)quinoline-3,4-diamine?
The InChIKey is NIXYJULMUVMGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-11-7-8-13(9-12(11)2)20-17-14-5-3-4-6-16(14)19-10-15(17)18/h3-6,10-13H,7-9,18H2,1-2H3,(H,19,20).
What are the key properties of 4-N-(3,4-dimethylcyclohexyl)quinoline-3,4-diamine?
4-N-(3,4-dimethylcyclohexyl)quinoline-3,4-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 4-N-(3,4-dimethylcyclohexyl)quinoline-3,4-diamine is sourced from PubChem (CID 103963377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).