N-(2,2-dimethylcyclopentyl)-8-methylquinolin-5-amine

C17H22N2 — CID 79860412

IUPACN-(2,2-dimethylcyclopentyl)-8-methylquinolin-5-amine
SMILESCc1ccc(NC2CCCC2(C)C)c2cccnc12
InChIInChI=1S/C17H22N2/c1-12-8-9-14(13-6-5-11-18-16(12)13)19-15-7-4-10-17(15,2)3/h5-6,8-9,11,15,19H,4,7,10H2,1-3H3
InChIKeyGBHYOYVMYHRMHJ-UHFFFAOYSA-N
MW254.38 g/mol
LogP4.53
Rot. Bonds2

About N-(2,2-dimethylcyclopentyl)-8-methylquinolin-5-amine

N-(2,2-dimethylcyclopentyl)-8-methylquinolin-5-amine (PubChem CID 79860412) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N-(2,2-dimethylcyclopentyl)-8-methylquinolin-5-amine.

Molecular Properties

Compound NameN-(2,2-dimethylcyclopentyl)-8-methylquinolin-5-amine
PubChem CID79860412
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC NameN-(2,2-dimethylcyclopentyl)-8-methylquinolin-5-amine
SMILESCc1ccc(NC2CCCC2(C)C)c2cccnc12
InChIInChI=1S/C17H22N2/c1-12-8-9-14(13-6-5-11-18-16(12)13)19-15-7-4-10-17(15,2)3/h5-6,8-9,11,15,19H,4,7,10H2,1-3H3
InChIKeyGBHYOYVMYHRMHJ-UHFFFAOYSA-N
XLogP4.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclopentyl)-8-methylquinolin-5-amine?
The IUPAC name of N-(2,2-dimethylcyclopentyl)-8-methylquinolin-5-amine (CID 79860412) is N-(2,2-dimethylcyclopentyl)-8-methylquinolin-5-amine.
What is the SMILES notation for N-(2,2-dimethylcyclopentyl)-8-methylquinolin-5-amine?
The canonical SMILES for N-(2,2-dimethylcyclopentyl)-8-methylquinolin-5-amine is Cc1ccc(NC2CCCC2(C)C)c2cccnc12.
What is the InChIKey of N-(2,2-dimethylcyclopentyl)-8-methylquinolin-5-amine?
The InChIKey is GBHYOYVMYHRMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-12-8-9-14(13-6-5-11-18-16(12)13)19-15-7-4-10-17(15,2)3/h5-6,8-9,11,15,19H,4,7,10H2,1-3H3.
What are the key properties of N-(2,2-dimethylcyclopentyl)-8-methylquinolin-5-amine?
N-(2,2-dimethylcyclopentyl)-8-methylquinolin-5-amine has a molecular weight of 254.38 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclopentyl)-8-methylquinolin-5-amine is sourced from PubChem (CID 79860412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).