N,7-dimethyl-7-(2-methylpropyl)-6H-isoquinolin-1-amine

C15H22N2 — CID 167030906

IUPACN,7-dimethyl-7-(2-methylpropyl)-6H-isoquinolin-1-amine
SMILESCNc1nccc2c1=CC(C)(CC(C)C)CC=2
InChIInChI=1S/C15H22N2/c1-11(2)9-15(3)7-5-12-6-8-17-14(16-4)13(12)10-15/h5-6,8,10-11H,7,9H2,1-4H3,(H,16,17)
InChIKeyANXWPBMRSZLLJP-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.14
Rot. Bonds3

About N,7-dimethyl-7-(2-methylpropyl)-6H-isoquinolin-1-amine

N,7-dimethyl-7-(2-methylpropyl)-6H-isoquinolin-1-amine (PubChem CID 167030906) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N,7-dimethyl-7-(2-methylpropyl)-6H-isoquinolin-1-amine.

Molecular Properties

Compound NameN,7-dimethyl-7-(2-methylpropyl)-6H-isoquinolin-1-amine
PubChem CID167030906
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC NameN,7-dimethyl-7-(2-methylpropyl)-6H-isoquinolin-1-amine
SMILESCNc1nccc2c1=CC(C)(CC(C)C)CC=2
InChIInChI=1S/C15H22N2/c1-11(2)9-15(3)7-5-12-6-8-17-14(16-4)13(12)10-15/h5-6,8,10-11H,7,9H2,1-4H3,(H,16,17)
InChIKeyANXWPBMRSZLLJP-UHFFFAOYSA-N
XLogP2.14
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,7-dimethyl-7-(2-methylpropyl)-6H-isoquinolin-1-amine?
The IUPAC name of N,7-dimethyl-7-(2-methylpropyl)-6H-isoquinolin-1-amine (CID 167030906) is N,7-dimethyl-7-(2-methylpropyl)-6H-isoquinolin-1-amine.
What is the SMILES notation for N,7-dimethyl-7-(2-methylpropyl)-6H-isoquinolin-1-amine?
The canonical SMILES for N,7-dimethyl-7-(2-methylpropyl)-6H-isoquinolin-1-amine is CNc1nccc2c1=CC(C)(CC(C)C)CC=2.
What is the InChIKey of N,7-dimethyl-7-(2-methylpropyl)-6H-isoquinolin-1-amine?
The InChIKey is ANXWPBMRSZLLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-11(2)9-15(3)7-5-12-6-8-17-14(16-4)13(12)10-15/h5-6,8,10-11H,7,9H2,1-4H3,(H,16,17).
What are the key properties of N,7-dimethyl-7-(2-methylpropyl)-6H-isoquinolin-1-amine?
N,7-dimethyl-7-(2-methylpropyl)-6H-isoquinolin-1-amine has a molecular weight of 230.35 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,7-dimethyl-7-(2-methylpropyl)-6H-isoquinolin-1-amine is sourced from PubChem (CID 167030906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).