N-cyclopropyl-5,6,7,8-tetrahydroisoquinolin-8-amine

C12H16N2 — CID 83907169

IUPACN-cyclopropyl-5,6,7,8-tetrahydroisoquinolin-8-amine
SMILESc1cc2c(cn1)C(NC1CC1)CCC2
InChIInChI=1S/C12H16N2/c1-2-9-6-7-13-8-11(9)12(3-1)14-10-4-5-10/h6-8,10,12,14H,1-5H2
InChIKeyRUVZLNOPVOEKFE-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.21
Rot. Bonds2

About N-cyclopropyl-5,6,7,8-tetrahydroisoquinolin-8-amine

N-cyclopropyl-5,6,7,8-tetrahydroisoquinolin-8-amine (PubChem CID 83907169) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is N-cyclopropyl-5,6,7,8-tetrahydroisoquinolin-8-amine.

Molecular Properties

Compound NameN-cyclopropyl-5,6,7,8-tetrahydroisoquinolin-8-amine
PubChem CID83907169
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC NameN-cyclopropyl-5,6,7,8-tetrahydroisoquinolin-8-amine
SMILESc1cc2c(cn1)C(NC1CC1)CCC2
InChIInChI=1S/C12H16N2/c1-2-9-6-7-13-8-11(9)12(3-1)14-10-4-5-10/h6-8,10,12,14H,1-5H2
InChIKeyRUVZLNOPVOEKFE-UHFFFAOYSA-N
XLogP2.21
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5,6,7,8-tetrahydroisoquinolin-8-amine?
The IUPAC name of N-cyclopropyl-5,6,7,8-tetrahydroisoquinolin-8-amine (CID 83907169) is N-cyclopropyl-5,6,7,8-tetrahydroisoquinolin-8-amine.
What is the SMILES notation for N-cyclopropyl-5,6,7,8-tetrahydroisoquinolin-8-amine?
The canonical SMILES for N-cyclopropyl-5,6,7,8-tetrahydroisoquinolin-8-amine is c1cc2c(cn1)C(NC1CC1)CCC2.
What is the InChIKey of N-cyclopropyl-5,6,7,8-tetrahydroisoquinolin-8-amine?
The InChIKey is RUVZLNOPVOEKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-2-9-6-7-13-8-11(9)12(3-1)14-10-4-5-10/h6-8,10,12,14H,1-5H2.
What are the key properties of N-cyclopropyl-5,6,7,8-tetrahydroisoquinolin-8-amine?
N-cyclopropyl-5,6,7,8-tetrahydroisoquinolin-8-amine has a molecular weight of 188.27 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5,6,7,8-tetrahydroisoquinolin-8-amine is sourced from PubChem (CID 83907169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).