1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-7-amine

C13H20N2 — CID 11287190

IUPAC1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-7-amine
SMILESCC(C)CC1NCCc2ccc(N)cc21
InChIInChI=1S/C13H20N2/c1-9(2)7-13-12-8-11(14)4-3-10(12)5-6-15-13/h3-4,8-9,13,15H,5-7,14H2,1-2H3
InChIKeyHUJXLBMLXUHHDL-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.50
Rot. Bonds2

About 1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-7-amine

1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-7-amine (PubChem CID 11287190) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-7-amine.

Molecular Properties

Compound Name1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-7-amine
PubChem CID11287190
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-7-amine
SMILESCC(C)CC1NCCc2ccc(N)cc21
InChIInChI=1S/C13H20N2/c1-9(2)7-13-12-8-11(14)4-3-10(12)5-6-15-13/h3-4,8-9,13,15H,5-7,14H2,1-2H3
InChIKeyHUJXLBMLXUHHDL-UHFFFAOYSA-N
XLogP2.50
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-6-amine
CID 119086128
7-fluoro-1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
CID 62375099
2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-7-amine
CID 11096090
1-(2-methylpentyl)-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 106778678
(1R)-7-amino-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
CID 130609338
(1S)-7-amino-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
CID 130632963
3-(2-methylpropyl)-2,3-dihydro-1H-isoindol-5-ol
CID 84733032
methyl (1S)-7-amino-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
CID 139840356
1-ethyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline
CID 62373597
1-ethyl-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 22018521
(7-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methanol
CID 83358890
7-methoxy-1-(propan-2-yloxymethyl)-1,2,3,4-tetrahydroisoquinoline
CID 106780647

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-7-amine?
The IUPAC name of 1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-7-amine (CID 11287190) is 1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-7-amine.
What is the SMILES notation for 1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-7-amine?
The canonical SMILES for 1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-7-amine is CC(C)CC1NCCc2ccc(N)cc21.
What is the InChIKey of 1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-7-amine?
The InChIKey is HUJXLBMLXUHHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-9(2)7-13-12-8-11(14)4-3-10(12)5-6-15-13/h3-4,8-9,13,15H,5-7,14H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-7-amine?
1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-7-amine has a molecular weight of 204.32 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-7-amine is sourced from PubChem (CID 11287190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).