3-(aminomethyl)-N-cyclopropyl-5,6,7,8-tetrahydroquinolin-2-amine

C13H19N3 — CID 62104913

IUPAC3-(aminomethyl)-N-cyclopropyl-5,6,7,8-tetrahydroquinolin-2-amine
SMILESNCc1cc2c(nc1NC1CC1)CCCC2
InChIInChI=1S/C13H19N3/c14-8-10-7-9-3-1-2-4-12(9)16-13(10)15-11-5-6-11/h7,11H,1-6,8,14H2,(H,15,16)
InChIKeyNWOGEYTZVPXZLP-UHFFFAOYSA-N
MW217.32 g/mol
LogP1.99
Rot. Bonds3

About 3-(aminomethyl)-N-cyclopropyl-5,6,7,8-tetrahydroquinolin-2-amine

3-(aminomethyl)-N-cyclopropyl-5,6,7,8-tetrahydroquinolin-2-amine (PubChem CID 62104913) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 3-(aminomethyl)-N-cyclopropyl-5,6,7,8-tetrahydroquinolin-2-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-cyclopropyl-5,6,7,8-tetrahydroquinolin-2-amine
PubChem CID62104913
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name3-(aminomethyl)-N-cyclopropyl-5,6,7,8-tetrahydroquinolin-2-amine
SMILESNCc1cc2c(nc1NC1CC1)CCCC2
InChIInChI=1S/C13H19N3/c14-8-10-7-9-3-1-2-4-12(9)16-13(10)15-11-5-6-11/h7,11H,1-6,8,14H2,(H,15,16)
InChIKeyNWOGEYTZVPXZLP-UHFFFAOYSA-N
XLogP1.99
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-cyclopropyl-5,6,7,8-tetrahydroquinolin-2-amine?
The IUPAC name of 3-(aminomethyl)-N-cyclopropyl-5,6,7,8-tetrahydroquinolin-2-amine (CID 62104913) is 3-(aminomethyl)-N-cyclopropyl-5,6,7,8-tetrahydroquinolin-2-amine.
What is the SMILES notation for 3-(aminomethyl)-N-cyclopropyl-5,6,7,8-tetrahydroquinolin-2-amine?
The canonical SMILES for 3-(aminomethyl)-N-cyclopropyl-5,6,7,8-tetrahydroquinolin-2-amine is NCc1cc2c(nc1NC1CC1)CCCC2.
What is the InChIKey of 3-(aminomethyl)-N-cyclopropyl-5,6,7,8-tetrahydroquinolin-2-amine?
The InChIKey is NWOGEYTZVPXZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c14-8-10-7-9-3-1-2-4-12(9)16-13(10)15-11-5-6-11/h7,11H,1-6,8,14H2,(H,15,16).
What are the key properties of 3-(aminomethyl)-N-cyclopropyl-5,6,7,8-tetrahydroquinolin-2-amine?
3-(aminomethyl)-N-cyclopropyl-5,6,7,8-tetrahydroquinolin-2-amine has a molecular weight of 217.32 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-cyclopropyl-5,6,7,8-tetrahydroquinolin-2-amine is sourced from PubChem (CID 62104913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).