2-(2-methylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-7-amine

C14H22N2 — CID 170022656

IUPAC2-(2-methylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-7-amine
SMILESCCC(C)(C)N1CCc2ccc(N)cc2C1
InChIInChI=1S/C14H22N2/c1-4-14(2,3)16-8-7-11-5-6-13(15)9-12(11)10-16/h5-6,9H,4,7-8,10,15H2,1-3H3
InChIKeyIXXCJARNUYEMHH-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.82
Rot. Bonds2

About 2-(2-methylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-7-amine

2-(2-methylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-7-amine (PubChem CID 170022656) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-(2-methylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-7-amine.

Molecular Properties

Compound Name2-(2-methylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-7-amine
PubChem CID170022656
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name2-(2-methylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-7-amine
SMILESCCC(C)(C)N1CCc2ccc(N)cc2C1
InChIInChI=1S/C14H22N2/c1-4-14(2,3)16-8-7-11-5-6-13(15)9-12(11)10-16/h5-6,9H,4,7-8,10,15H2,1-3H3
InChIKeyIXXCJARNUYEMHH-UHFFFAOYSA-N
XLogP2.82
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-7-amine?
The IUPAC name of 2-(2-methylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-7-amine (CID 170022656) is 2-(2-methylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-7-amine.
What is the SMILES notation for 2-(2-methylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-7-amine?
The canonical SMILES for 2-(2-methylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-7-amine is CCC(C)(C)N1CCc2ccc(N)cc2C1.
What is the InChIKey of 2-(2-methylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-7-amine?
The InChIKey is IXXCJARNUYEMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-4-14(2,3)16-8-7-11-5-6-13(15)9-12(11)10-16/h5-6,9H,4,7-8,10,15H2,1-3H3.
What are the key properties of 2-(2-methylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-7-amine?
2-(2-methylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-7-amine has a molecular weight of 218.34 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-7-amine is sourced from PubChem (CID 170022656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).