2-N-(2,2-dimethylcyclohexyl)quinoline-2,6-diamine

C17H23N3 — CID 79861490

IUPAC2-N-(2,2-dimethylcyclohexyl)quinoline-2,6-diamine
SMILESCC1(C)CCCCC1Nc1ccc2cc(N)ccc2n1
InChIInChI=1S/C17H23N3/c1-17(2)10-4-3-5-15(17)20-16-9-6-12-11-13(18)7-8-14(12)19-16/h6-9,11,15H,3-5,10,18H2,1-2H3,(H,19,20)
InChIKeyFDIRCPZPNLNDLT-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.20
Rot. Bonds2

About 2-N-(2,2-dimethylcyclohexyl)quinoline-2,6-diamine

2-N-(2,2-dimethylcyclohexyl)quinoline-2,6-diamine (PubChem CID 79861490) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-N-(2,2-dimethylcyclohexyl)quinoline-2,6-diamine.

Molecular Properties

Compound Name2-N-(2,2-dimethylcyclohexyl)quinoline-2,6-diamine
PubChem CID79861490
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name2-N-(2,2-dimethylcyclohexyl)quinoline-2,6-diamine
SMILESCC1(C)CCCCC1Nc1ccc2cc(N)ccc2n1
InChIInChI=1S/C17H23N3/c1-17(2)10-4-3-5-15(17)20-16-9-6-12-11-13(18)7-8-14(12)19-16/h6-9,11,15H,3-5,10,18H2,1-2H3,(H,19,20)
InChIKeyFDIRCPZPNLNDLT-UHFFFAOYSA-N
XLogP4.20
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 ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-N-(2,2-dimethylcyclopentyl)quinoline-2,6-diamine
CID 79861402
2-N-(2,2-dimethylcyclohexyl)-1,3-benzoxazole-2,6-diamine
CID 79892885
2-N-cyclobutylquinoline-2,6-diamine
CID 62414145
2-chloro-1-N-(2,2-dimethylcyclohexyl)benzene-1,4-diamine
CID 79860993
2-N-(2-ethylcyclohexyl)quinoline-2,6-diamine
CID 63402589
1-N-(2,2-dimethylcyclohexyl)-2-methylbenzene-1,4-diamine
CID 79861808
1-N-(2,2-dimethylcyclohexyl)-2-iodobenzene-1,4-diamine
CID 79860905
4-N-(2,2-dimethylcyclohexyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80960088
2-N-(2,2-dimethylcyclohexyl)-6-(2-methylpropoxy)pyridine-2,5-diamine
CID 79865603
4-N-(2,2-dimethylcyclohexyl)pyrimidine-4,6-diamine
CID 80849471
4-[(6-aminoquinolin-2-yl)amino]cyclohexan-1-ol
CID 43450840
2-N-(1,1-dioxothian-3-yl)quinoline-2,6-diamine
CID 63923297

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,2-dimethylcyclohexyl)quinoline-2,6-diamine?
The IUPAC name of 2-N-(2,2-dimethylcyclohexyl)quinoline-2,6-diamine (CID 79861490) is 2-N-(2,2-dimethylcyclohexyl)quinoline-2,6-diamine.
What is the SMILES notation for 2-N-(2,2-dimethylcyclohexyl)quinoline-2,6-diamine?
The canonical SMILES for 2-N-(2,2-dimethylcyclohexyl)quinoline-2,6-diamine is CC1(C)CCCCC1Nc1ccc2cc(N)ccc2n1.
What is the InChIKey of 2-N-(2,2-dimethylcyclohexyl)quinoline-2,6-diamine?
The InChIKey is FDIRCPZPNLNDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-17(2)10-4-3-5-15(17)20-16-9-6-12-11-13(18)7-8-14(12)19-16/h6-9,11,15H,3-5,10,18H2,1-2H3,(H,19,20).
What are the key properties of 2-N-(2,2-dimethylcyclohexyl)quinoline-2,6-diamine?
2-N-(2,2-dimethylcyclohexyl)quinoline-2,6-diamine has a molecular weight of 269.39 g/mol, XLogP of 4.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,2-dimethylcyclohexyl)quinoline-2,6-diamine is sourced from PubChem (CID 79861490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).