(6R)-2-(2-methylpropyl)-3,4,6,7,8,9-hexahydro-1H-benzo[g]isoquinolin-6-amine

C17H26N2 — CID 58597284

IUPAC(6R)-2-(2-methylpropyl)-3,4,6,7,8,9-hexahydro-1H-benzo[g]isoquinolin-6-amine
SMILESCC(C)CN1CCc2cc3c(cc2C1)CCC[C@H]3N
InChIInChI=1S/C17H26N2/c1-12(2)10-19-7-6-13-9-16-14(8-15(13)11-19)4-3-5-17(16)18/h8-9,12,17H,3-7,10-11,18H2,1-2H3/t17-/m1/s1
InChIKeyALXCBWBKOOKHOR-QGZVFWFLSA-N
MW258.41 g/mol
LogP3.04
Rot. Bonds2

About (6R)-2-(2-methylpropyl)-3,4,6,7,8,9-hexahydro-1H-benzo[g]isoquinolin-6-amine

(6R)-2-(2-methylpropyl)-3,4,6,7,8,9-hexahydro-1H-benzo[g]isoquinolin-6-amine (PubChem CID 58597284) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is (6R)-2-(2-methylpropyl)-3,4,6,7,8,9-hexahydro-1H-benzo[g]isoquinolin-6-amine.

Molecular Properties

Compound Name(6R)-2-(2-methylpropyl)-3,4,6,7,8,9-hexahydro-1H-benzo[g]isoquinolin-6-amine
PubChem CID58597284
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name(6R)-2-(2-methylpropyl)-3,4,6,7,8,9-hexahydro-1H-benzo[g]isoquinolin-6-amine
SMILESCC(C)CN1CCc2cc3c(cc2C1)CCC[C@H]3N
InChIInChI=1S/C17H26N2/c1-12(2)10-19-7-6-13-9-16-14(8-15(13)11-19)4-3-5-17(16)18/h8-9,12,17H,3-7,10-11,18H2,1-2H3/t17-/m1/s1
InChIKeyALXCBWBKOOKHOR-QGZVFWFLSA-N
XLogP3.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6R)-2-(2-methylpropyl)-3,4,6,7,8,9-hexahydro-1H-benzo[g]isoquinolin-6-amine?
The IUPAC name of (6R)-2-(2-methylpropyl)-3,4,6,7,8,9-hexahydro-1H-benzo[g]isoquinolin-6-amine (CID 58597284) is (6R)-2-(2-methylpropyl)-3,4,6,7,8,9-hexahydro-1H-benzo[g]isoquinolin-6-amine.
What is the SMILES notation for (6R)-2-(2-methylpropyl)-3,4,6,7,8,9-hexahydro-1H-benzo[g]isoquinolin-6-amine?
The canonical SMILES for (6R)-2-(2-methylpropyl)-3,4,6,7,8,9-hexahydro-1H-benzo[g]isoquinolin-6-amine is CC(C)CN1CCc2cc3c(cc2C1)CCC[C@H]3N.
What is the InChIKey of (6R)-2-(2-methylpropyl)-3,4,6,7,8,9-hexahydro-1H-benzo[g]isoquinolin-6-amine?
The InChIKey is ALXCBWBKOOKHOR-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H26N2/c1-12(2)10-19-7-6-13-9-16-14(8-15(13)11-19)4-3-5-17(16)18/h8-9,12,17H,3-7,10-11,18H2,1-2H3/t17-/m1/s1.
What are the key properties of (6R)-2-(2-methylpropyl)-3,4,6,7,8,9-hexahydro-1H-benzo[g]isoquinolin-6-amine?
(6R)-2-(2-methylpropyl)-3,4,6,7,8,9-hexahydro-1H-benzo[g]isoquinolin-6-amine has a molecular weight of 258.41 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-(2-methylpropyl)-3,4,6,7,8,9-hexahydro-1H-benzo[g]isoquinolin-6-amine is sourced from PubChem (CID 58597284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).