3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-methylquinolin-2-amine

C17H21N3 — CID 62207509

IUPAC3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-methylquinolin-2-amine
SMILESCNc1nc2ccccc2cc1CN1CC2CCC1C2
InChIInChI=1S/C17H21N3/c1-18-17-14(9-13-4-2-3-5-16(13)19-17)11-20-10-12-6-7-15(20)8-12/h2-5,9,12,15H,6-8,10-11H2,1H3,(H,18,19)
InChIKeyRWMNTTDZZPLOHW-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.26
Rot. Bonds3

About 3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-methylquinolin-2-amine

3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-methylquinolin-2-amine (PubChem CID 62207509) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-methylquinolin-2-amine.

Molecular Properties

Compound Name3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-methylquinolin-2-amine
PubChem CID62207509
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-methylquinolin-2-amine
SMILESCNc1nc2ccccc2cc1CN1CC2CCC1C2
InChIInChI=1S/C17H21N3/c1-18-17-14(9-13-4-2-3-5-16(13)19-17)11-20-10-12-6-7-15(20)8-12/h2-5,9,12,15H,6-8,10-11H2,1H3,(H,18,19)
InChIKeyRWMNTTDZZPLOHW-UHFFFAOYSA-N
XLogP3.26
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-methylquinolin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-methylquinolin-2-amine?
The IUPAC name of 3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-methylquinolin-2-amine (CID 62207509) is 3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-methylquinolin-2-amine.
What is the SMILES notation for 3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-methylquinolin-2-amine?
The canonical SMILES for 3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-methylquinolin-2-amine is CNc1nc2ccccc2cc1CN1CC2CCC1C2.
What is the InChIKey of 3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-methylquinolin-2-amine?
The InChIKey is RWMNTTDZZPLOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-18-17-14(9-13-4-2-3-5-16(13)19-17)11-20-10-12-6-7-15(20)8-12/h2-5,9,12,15H,6-8,10-11H2,1H3,(H,18,19).
What are the key properties of 3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-methylquinolin-2-amine?
3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-methylquinolin-2-amine has a molecular weight of 267.38 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-methylquinolin-2-amine is sourced from PubChem (CID 62207509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).