N-methyl-1,2,3,4,7,8-hexahydroisoquinolin-3-amine

C10H16N2 — CID 146576712

IUPACN-methyl-1,2,3,4,7,8-hexahydroisoquinolin-3-amine
SMILESCNC1CC2=C(CCC=C2)CN1
InChIInChI=1S/C10H16N2/c1-11-10-6-8-4-2-3-5-9(8)7-12-10/h2,4,10-12H,3,5-7H2,1H3
InChIKeyNQNGCFVPDZFXSD-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.17
Rot. Bonds1

About N-methyl-1,2,3,4,7,8-hexahydroisoquinolin-3-amine

N-methyl-1,2,3,4,7,8-hexahydroisoquinolin-3-amine (PubChem CID 146576712) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is N-methyl-1,2,3,4,7,8-hexahydroisoquinolin-3-amine.

Molecular Properties

Compound NameN-methyl-1,2,3,4,7,8-hexahydroisoquinolin-3-amine
PubChem CID146576712
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC NameN-methyl-1,2,3,4,7,8-hexahydroisoquinolin-3-amine
SMILESCNC1CC2=C(CCC=C2)CN1
InChIInChI=1S/C10H16N2/c1-11-10-6-8-4-2-3-5-9(8)7-12-10/h2,4,10-12H,3,5-7H2,1H3
InChIKeyNQNGCFVPDZFXSD-UHFFFAOYSA-N
XLogP1.17
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1,2,3,4,7,8-hexahydroisoquinolin-3-amine?
The IUPAC name of N-methyl-1,2,3,4,7,8-hexahydroisoquinolin-3-amine (CID 146576712) is N-methyl-1,2,3,4,7,8-hexahydroisoquinolin-3-amine.
What is the SMILES notation for N-methyl-1,2,3,4,7,8-hexahydroisoquinolin-3-amine?
The canonical SMILES for N-methyl-1,2,3,4,7,8-hexahydroisoquinolin-3-amine is CNC1CC2=C(CCC=C2)CN1.
What is the InChIKey of N-methyl-1,2,3,4,7,8-hexahydroisoquinolin-3-amine?
The InChIKey is NQNGCFVPDZFXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-11-10-6-8-4-2-3-5-9(8)7-12-10/h2,4,10-12H,3,5-7H2,1H3.
What are the key properties of N-methyl-1,2,3,4,7,8-hexahydroisoquinolin-3-amine?
N-methyl-1,2,3,4,7,8-hexahydroisoquinolin-3-amine has a molecular weight of 164.25 g/mol, XLogP of 1.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,2,3,4,7,8-hexahydroisoquinolin-3-amine is sourced from PubChem (CID 146576712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).