2-(aminomethyl)-N-cyclopropyl-8-methylquinolin-4-amine

C14H17N3 — CID 84691349

IUPAC2-(aminomethyl)-N-cyclopropyl-8-methylquinolin-4-amine
SMILESCc1cccc2c(NC3CC3)cc(CN)nc12
InChIInChI=1S/C14H17N3/c1-9-3-2-4-12-13(16-10-5-6-10)7-11(8-15)17-14(9)12/h2-4,7,10H,5-6,8,15H2,1H3,(H,16,17)
InChIKeyWTPGYWAGSANIGE-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.58
Rot. Bonds3

About 2-(aminomethyl)-N-cyclopropyl-8-methylquinolin-4-amine

2-(aminomethyl)-N-cyclopropyl-8-methylquinolin-4-amine (PubChem CID 84691349) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-(aminomethyl)-N-cyclopropyl-8-methylquinolin-4-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-cyclopropyl-8-methylquinolin-4-amine
PubChem CID84691349
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name2-(aminomethyl)-N-cyclopropyl-8-methylquinolin-4-amine
SMILESCc1cccc2c(NC3CC3)cc(CN)nc12
InChIInChI=1S/C14H17N3/c1-9-3-2-4-12-13(16-10-5-6-10)7-11(8-15)17-14(9)12/h2-4,7,10H,5-6,8,15H2,1H3,(H,16,17)
InChIKeyWTPGYWAGSANIGE-UHFFFAOYSA-N
XLogP2.58
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-cyclopropyl-8-methylquinolin-4-amine?
The IUPAC name of 2-(aminomethyl)-N-cyclopropyl-8-methylquinolin-4-amine (CID 84691349) is 2-(aminomethyl)-N-cyclopropyl-8-methylquinolin-4-amine.
What is the SMILES notation for 2-(aminomethyl)-N-cyclopropyl-8-methylquinolin-4-amine?
The canonical SMILES for 2-(aminomethyl)-N-cyclopropyl-8-methylquinolin-4-amine is Cc1cccc2c(NC3CC3)cc(CN)nc12.
What is the InChIKey of 2-(aminomethyl)-N-cyclopropyl-8-methylquinolin-4-amine?
The InChIKey is WTPGYWAGSANIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-9-3-2-4-12-13(16-10-5-6-10)7-11(8-15)17-14(9)12/h2-4,7,10H,5-6,8,15H2,1H3,(H,16,17).
What are the key properties of 2-(aminomethyl)-N-cyclopropyl-8-methylquinolin-4-amine?
2-(aminomethyl)-N-cyclopropyl-8-methylquinolin-4-amine has a molecular weight of 227.31 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-cyclopropyl-8-methylquinolin-4-amine is sourced from PubChem (CID 84691349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).