N-(4,4-dimethylcycloheptyl)-8-methylquinolin-5-amine

C19H26N2 — CID 65083328

IUPACN-(4,4-dimethylcycloheptyl)-8-methylquinolin-5-amine
SMILESCc1ccc(NC2CCCC(C)(C)CC2)c2cccnc12
InChIInChI=1S/C19H26N2/c1-14-8-9-17(16-7-5-13-20-18(14)16)21-15-6-4-11-19(2,3)12-10-15/h5,7-9,13,15,21H,4,6,10-12H2,1-3H3
InChIKeyCELSEZJZNZBAEX-UHFFFAOYSA-N
MW282.43 g/mol
LogP5.31
Rot. Bonds2

About N-(4,4-dimethylcycloheptyl)-8-methylquinolin-5-amine

N-(4,4-dimethylcycloheptyl)-8-methylquinolin-5-amine (PubChem CID 65083328) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-(4,4-dimethylcycloheptyl)-8-methylquinolin-5-amine.

Molecular Properties

Compound NameN-(4,4-dimethylcycloheptyl)-8-methylquinolin-5-amine
PubChem CID65083328
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC NameN-(4,4-dimethylcycloheptyl)-8-methylquinolin-5-amine
SMILESCc1ccc(NC2CCCC(C)(C)CC2)c2cccnc12
InChIInChI=1S/C19H26N2/c1-14-8-9-17(16-7-5-13-20-18(14)16)21-15-6-4-11-19(2,3)12-10-15/h5,7-9,13,15,21H,4,6,10-12H2,1-3H3
InChIKeyCELSEZJZNZBAEX-UHFFFAOYSA-N
XLogP5.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.43
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylcycloheptyl)-8-methylquinolin-5-amine?
The IUPAC name of N-(4,4-dimethylcycloheptyl)-8-methylquinolin-5-amine (CID 65083328) is N-(4,4-dimethylcycloheptyl)-8-methylquinolin-5-amine.
What is the SMILES notation for N-(4,4-dimethylcycloheptyl)-8-methylquinolin-5-amine?
The canonical SMILES for N-(4,4-dimethylcycloheptyl)-8-methylquinolin-5-amine is Cc1ccc(NC2CCCC(C)(C)CC2)c2cccnc12.
What is the InChIKey of N-(4,4-dimethylcycloheptyl)-8-methylquinolin-5-amine?
The InChIKey is CELSEZJZNZBAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-14-8-9-17(16-7-5-13-20-18(14)16)21-15-6-4-11-19(2,3)12-10-15/h5,7-9,13,15,21H,4,6,10-12H2,1-3H3.
What are the key properties of N-(4,4-dimethylcycloheptyl)-8-methylquinolin-5-amine?
N-(4,4-dimethylcycloheptyl)-8-methylquinolin-5-amine has a molecular weight of 282.43 g/mol, XLogP of 5.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylcycloheptyl)-8-methylquinolin-5-amine is sourced from PubChem (CID 65083328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).