3-[[cyclopropyl(methyl)amino]methyl]-N-ethylquinolin-2-amine

C16H21N3 — CID 62182539

IUPAC3-[[cyclopropyl(methyl)amino]methyl]-N-ethylquinolin-2-amine
SMILESCCNc1nc2ccccc2cc1CN(C)C1CC1
InChIInChI=1S/C16H21N3/c1-3-17-16-13(11-19(2)14-8-9-14)10-12-6-4-5-7-15(12)18-16/h4-7,10,14H,3,8-9,11H2,1-2H3,(H,17,18)
InChIKeyZBRXVGMIBKZCEI-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.26
Rot. Bonds5

About 3-[[cyclopropyl(methyl)amino]methyl]-N-ethylquinolin-2-amine

3-[[cyclopropyl(methyl)amino]methyl]-N-ethylquinolin-2-amine (PubChem CID 62182539) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 3-[[cyclopropyl(methyl)amino]methyl]-N-ethylquinolin-2-amine.

Molecular Properties

Compound Name3-[[cyclopropyl(methyl)amino]methyl]-N-ethylquinolin-2-amine
PubChem CID62182539
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name3-[[cyclopropyl(methyl)amino]methyl]-N-ethylquinolin-2-amine
SMILESCCNc1nc2ccccc2cc1CN(C)C1CC1
InChIInChI=1S/C16H21N3/c1-3-17-16-13(11-19(2)14-8-9-14)10-12-6-4-5-7-15(12)18-16/h4-7,10,14H,3,8-9,11H2,1-2H3,(H,17,18)
InChIKeyZBRXVGMIBKZCEI-UHFFFAOYSA-N
XLogP3.26
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopropyl(methyl)amino]methyl]-N-ethylquinolin-2-amine?
The IUPAC name of 3-[[cyclopropyl(methyl)amino]methyl]-N-ethylquinolin-2-amine (CID 62182539) is 3-[[cyclopropyl(methyl)amino]methyl]-N-ethylquinolin-2-amine.
What is the SMILES notation for 3-[[cyclopropyl(methyl)amino]methyl]-N-ethylquinolin-2-amine?
The canonical SMILES for 3-[[cyclopropyl(methyl)amino]methyl]-N-ethylquinolin-2-amine is CCNc1nc2ccccc2cc1CN(C)C1CC1.
What is the InChIKey of 3-[[cyclopropyl(methyl)amino]methyl]-N-ethylquinolin-2-amine?
The InChIKey is ZBRXVGMIBKZCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-3-17-16-13(11-19(2)14-8-9-14)10-12-6-4-5-7-15(12)18-16/h4-7,10,14H,3,8-9,11H2,1-2H3,(H,17,18).
What are the key properties of 3-[[cyclopropyl(methyl)amino]methyl]-N-ethylquinolin-2-amine?
3-[[cyclopropyl(methyl)amino]methyl]-N-ethylquinolin-2-amine has a molecular weight of 255.37 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopropyl(methyl)amino]methyl]-N-ethylquinolin-2-amine is sourced from PubChem (CID 62182539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).