N-(2,2-dimethylcyclopropyl)-2-methylquinolin-4-amine

C15H18N2 — CID 61223865

IUPACN-(2,2-dimethylcyclopropyl)-2-methylquinolin-4-amine
SMILESCc1cc(NC2CC2(C)C)c2ccccc2n1
InChIInChI=1S/C15H18N2/c1-10-8-13(17-14-9-15(14,2)3)11-6-4-5-7-12(11)16-10/h4-8,14H,9H2,1-3H3,(H,16,17)
InChIKeyCDJDHMQXFMEAPD-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.75
Rot. Bonds2

About N-(2,2-dimethylcyclopropyl)-2-methylquinolin-4-amine

N-(2,2-dimethylcyclopropyl)-2-methylquinolin-4-amine (PubChem CID 61223865) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-(2,2-dimethylcyclopropyl)-2-methylquinolin-4-amine.

Molecular Properties

Compound NameN-(2,2-dimethylcyclopropyl)-2-methylquinolin-4-amine
PubChem CID61223865
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC NameN-(2,2-dimethylcyclopropyl)-2-methylquinolin-4-amine
SMILESCc1cc(NC2CC2(C)C)c2ccccc2n1
InChIInChI=1S/C15H18N2/c1-10-8-13(17-14-9-15(14,2)3)11-6-4-5-7-12(11)16-10/h4-8,14H,9H2,1-3H3,(H,16,17)
InChIKeyCDJDHMQXFMEAPD-UHFFFAOYSA-N
XLogP3.75
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclopropyl)-2-methylquinolin-4-amine?
The IUPAC name of N-(2,2-dimethylcyclopropyl)-2-methylquinolin-4-amine (CID 61223865) is N-(2,2-dimethylcyclopropyl)-2-methylquinolin-4-amine.
What is the SMILES notation for N-(2,2-dimethylcyclopropyl)-2-methylquinolin-4-amine?
The canonical SMILES for N-(2,2-dimethylcyclopropyl)-2-methylquinolin-4-amine is Cc1cc(NC2CC2(C)C)c2ccccc2n1.
What is the InChIKey of N-(2,2-dimethylcyclopropyl)-2-methylquinolin-4-amine?
The InChIKey is CDJDHMQXFMEAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-10-8-13(17-14-9-15(14,2)3)11-6-4-5-7-12(11)16-10/h4-8,14H,9H2,1-3H3,(H,16,17).
What are the key properties of N-(2,2-dimethylcyclopropyl)-2-methylquinolin-4-amine?
N-(2,2-dimethylcyclopropyl)-2-methylquinolin-4-amine has a molecular weight of 226.32 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclopropyl)-2-methylquinolin-4-amine is sourced from PubChem (CID 61223865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).