3-(aminomethyl)-N-methyl-N-(oxan-4-ylmethyl)-5,6,7,8-tetrahydroquinolin-2-amine

C17H27N3O — CID 63726407

IUPAC3-(aminomethyl)-N-methyl-N-(oxan-4-ylmethyl)-5,6,7,8-tetrahydroquinolin-2-amine
SMILESCN(CC1CCOCC1)c1nc2c(cc1CN)CCCC2
InChIInChI=1S/C17H27N3O/c1-20(12-13-6-8-21-9-7-13)17-15(11-18)10-14-4-2-3-5-16(14)19-17/h10,13H,2-9,11-12,18H2,1H3
InChIKeyQWRDFPNJUHEXQU-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.28
Rot. Bonds4

About 3-(aminomethyl)-N-methyl-N-(oxan-4-ylmethyl)-5,6,7,8-tetrahydroquinolin-2-amine

3-(aminomethyl)-N-methyl-N-(oxan-4-ylmethyl)-5,6,7,8-tetrahydroquinolin-2-amine (PubChem CID 63726407) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-(aminomethyl)-N-methyl-N-(oxan-4-ylmethyl)-5,6,7,8-tetrahydroquinolin-2-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-methyl-N-(oxan-4-ylmethyl)-5,6,7,8-tetrahydroquinolin-2-amine
PubChem CID63726407
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name3-(aminomethyl)-N-methyl-N-(oxan-4-ylmethyl)-5,6,7,8-tetrahydroquinolin-2-amine
SMILESCN(CC1CCOCC1)c1nc2c(cc1CN)CCCC2
InChIInChI=1S/C17H27N3O/c1-20(12-13-6-8-21-9-7-13)17-15(11-18)10-14-4-2-3-5-16(14)19-17/h10,13H,2-9,11-12,18H2,1H3
InChIKeyQWRDFPNJUHEXQU-UHFFFAOYSA-N
XLogP2.28
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(aminomethyl)-N-methyl-N-(oxan-4-ylmethyl)-5,6,7,8-tetrahydroquinolin-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-(aminomethyl)-N-methyl-N-(oxan-4-ylmethyl)-5,6,7,8-tetrahydroquinolin-2-amine?
The IUPAC name of 3-(aminomethyl)-N-methyl-N-(oxan-4-ylmethyl)-5,6,7,8-tetrahydroquinolin-2-amine (CID 63726407) is 3-(aminomethyl)-N-methyl-N-(oxan-4-ylmethyl)-5,6,7,8-tetrahydroquinolin-2-amine.
What is the SMILES notation for 3-(aminomethyl)-N-methyl-N-(oxan-4-ylmethyl)-5,6,7,8-tetrahydroquinolin-2-amine?
The canonical SMILES for 3-(aminomethyl)-N-methyl-N-(oxan-4-ylmethyl)-5,6,7,8-tetrahydroquinolin-2-amine is CN(CC1CCOCC1)c1nc2c(cc1CN)CCCC2.
What is the InChIKey of 3-(aminomethyl)-N-methyl-N-(oxan-4-ylmethyl)-5,6,7,8-tetrahydroquinolin-2-amine?
The InChIKey is QWRDFPNJUHEXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-20(12-13-6-8-21-9-7-13)17-15(11-18)10-14-4-2-3-5-16(14)19-17/h10,13H,2-9,11-12,18H2,1H3.
What are the key properties of 3-(aminomethyl)-N-methyl-N-(oxan-4-ylmethyl)-5,6,7,8-tetrahydroquinolin-2-amine?
3-(aminomethyl)-N-methyl-N-(oxan-4-ylmethyl)-5,6,7,8-tetrahydroquinolin-2-amine has a molecular weight of 289.42 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-methyl-N-(oxan-4-ylmethyl)-5,6,7,8-tetrahydroquinolin-2-amine is sourced from PubChem (CID 63726407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).