6-N-(3,5-dimethylcyclohexyl)quinoline-5,6-diamine

C17H23N3 — CID 64734415

IUPAC6-N-(3,5-dimethylcyclohexyl)quinoline-5,6-diamine
SMILESCC1CC(C)CC(Nc2ccc3ncccc3c2N)C1
InChIInChI=1S/C17H23N3/c1-11-8-12(2)10-13(9-11)20-16-6-5-15-14(17(16)18)4-3-7-19-15/h3-7,11-13,20H,8-10,18H2,1-2H3
InChIKeyVRLGHTATZAINOV-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.05
Rot. Bonds2

About 6-N-(3,5-dimethylcyclohexyl)quinoline-5,6-diamine

6-N-(3,5-dimethylcyclohexyl)quinoline-5,6-diamine (PubChem CID 64734415) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 6-N-(3,5-dimethylcyclohexyl)quinoline-5,6-diamine.

Molecular Properties

Compound Name6-N-(3,5-dimethylcyclohexyl)quinoline-5,6-diamine
PubChem CID64734415
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name6-N-(3,5-dimethylcyclohexyl)quinoline-5,6-diamine
SMILESCC1CC(C)CC(Nc2ccc3ncccc3c2N)C1
InChIInChI=1S/C17H23N3/c1-11-8-12(2)10-13(9-11)20-16-6-5-15-14(17(16)18)4-3-7-19-15/h3-7,11-13,20H,8-10,18H2,1-2H3
InChIKeyVRLGHTATZAINOV-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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Related Compounds

6-N-cyclopropylquinoline-5,6-diamine
CID 43809527
6-N-(2-methyloxolan-3-yl)quinoline-5,6-diamine
CID 82725325
N-(3-methylcyclopentyl)quinolin-5-amine
CID 64501004
6-N-[(3-methyl-2-pyridinyl)methyl]quinoline-5,6-diamine
CID 63305883
6-(3,5-dimethylpiperidin-1-yl)quinolin-5-amine
CID 43809501
6-N-ethylquinoline-5,6-diamine
CID 43809532
1-N-quinolin-5-ylcyclobutane-1,3-diamine
CID 80559006
3-[(5-aminoquinolin-6-yl)amino]piperidin-2-one
CID 62092176
3-N-(3,5-dimethylcyclohexyl)-2-N,2-N-dimethylpyridine-2,3-diamine
CID 64752142
N-(3,5-dimethylcyclohexyl)quinolin-8-amine
CID 64723380
6-N-[(5-methylpyrazin-2-yl)methyl]quinoline-5,6-diamine
CID 62848085
8-N-(3-methylcyclobutyl)isoquinoline-5,8-diamine
CID 103139155

Frequently Asked Questions

What is the IUPAC name of 6-N-(3,5-dimethylcyclohexyl)quinoline-5,6-diamine?
The IUPAC name of 6-N-(3,5-dimethylcyclohexyl)quinoline-5,6-diamine (CID 64734415) is 6-N-(3,5-dimethylcyclohexyl)quinoline-5,6-diamine.
What is the SMILES notation for 6-N-(3,5-dimethylcyclohexyl)quinoline-5,6-diamine?
The canonical SMILES for 6-N-(3,5-dimethylcyclohexyl)quinoline-5,6-diamine is CC1CC(C)CC(Nc2ccc3ncccc3c2N)C1.
What is the InChIKey of 6-N-(3,5-dimethylcyclohexyl)quinoline-5,6-diamine?
The InChIKey is VRLGHTATZAINOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-11-8-12(2)10-13(9-11)20-16-6-5-15-14(17(16)18)4-3-7-19-15/h3-7,11-13,20H,8-10,18H2,1-2H3.
What are the key properties of 6-N-(3,5-dimethylcyclohexyl)quinoline-5,6-diamine?
6-N-(3,5-dimethylcyclohexyl)quinoline-5,6-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 6-N-(3,5-dimethylcyclohexyl)quinoline-5,6-diamine is sourced from PubChem (CID 64734415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).