3,5-dimethyl-1-quinolin-5-ylcyclohexan-1-amine

C17H22N2 — CID 81216239

IUPAC3,5-dimethyl-1-quinolin-5-ylcyclohexan-1-amine
SMILESCC1CC(C)CC(N)(c2cccc3ncccc23)C1
InChIInChI=1S/C17H22N2/c1-12-9-13(2)11-17(18,10-12)15-6-3-7-16-14(15)5-4-8-19-16/h3-8,12-13H,9-11,18H2,1-2H3
InChIKeyCFYWCUIRZWZBPJ-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.84
Rot. Bonds1

About 3,5-dimethyl-1-quinolin-5-ylcyclohexan-1-amine

3,5-dimethyl-1-quinolin-5-ylcyclohexan-1-amine (PubChem CID 81216239) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 3,5-dimethyl-1-quinolin-5-ylcyclohexan-1-amine.

Molecular Properties

Compound Name3,5-dimethyl-1-quinolin-5-ylcyclohexan-1-amine
PubChem CID81216239
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name3,5-dimethyl-1-quinolin-5-ylcyclohexan-1-amine
SMILESCC1CC(C)CC(N)(c2cccc3ncccc23)C1
InChIInChI=1S/C17H22N2/c1-12-9-13(2)11-17(18,10-12)15-6-3-7-16-14(15)5-4-8-19-16/h3-8,12-13H,9-11,18H2,1-2H3
InChIKeyCFYWCUIRZWZBPJ-UHFFFAOYSA-N
XLogP3.84
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-quinolin-5-ylcyclohexan-1-amine?
The IUPAC name of 3,5-dimethyl-1-quinolin-5-ylcyclohexan-1-amine (CID 81216239) is 3,5-dimethyl-1-quinolin-5-ylcyclohexan-1-amine.
What is the SMILES notation for 3,5-dimethyl-1-quinolin-5-ylcyclohexan-1-amine?
The canonical SMILES for 3,5-dimethyl-1-quinolin-5-ylcyclohexan-1-amine is CC1CC(C)CC(N)(c2cccc3ncccc23)C1.
What is the InChIKey of 3,5-dimethyl-1-quinolin-5-ylcyclohexan-1-amine?
The InChIKey is CFYWCUIRZWZBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-12-9-13(2)11-17(18,10-12)15-6-3-7-16-14(15)5-4-8-19-16/h3-8,12-13H,9-11,18H2,1-2H3.
What are the key properties of 3,5-dimethyl-1-quinolin-5-ylcyclohexan-1-amine?
3,5-dimethyl-1-quinolin-5-ylcyclohexan-1-amine has a molecular weight of 254.38 g/mol, XLogP of 3.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-quinolin-5-ylcyclohexan-1-amine is sourced from PubChem (CID 81216239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).