1-[2-(3,3-dimethylbutyl)-3,4-dihydro-1H-isoquinolin-3-yl]-N-methylmethanamine

C17H28N2 — CID 55065813

IUPAC1-[2-(3,3-dimethylbutyl)-3,4-dihydro-1H-isoquinolin-3-yl]-N-methylmethanamine
SMILESCNCC1Cc2ccccc2CN1CCC(C)(C)C
InChIInChI=1S/C17H28N2/c1-17(2,3)9-10-19-13-15-8-6-5-7-14(15)11-16(19)12-18-4/h5-8,16,18H,9-13H2,1-4H3
InChIKeyCGBKSZGGMIRGNY-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.07
Rot. Bonds4

About 1-[2-(3,3-dimethylbutyl)-3,4-dihydro-1H-isoquinolin-3-yl]-N-methylmethanamine

1-[2-(3,3-dimethylbutyl)-3,4-dihydro-1H-isoquinolin-3-yl]-N-methylmethanamine (PubChem CID 55065813) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-[2-(3,3-dimethylbutyl)-3,4-dihydro-1H-isoquinolin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3,3-dimethylbutyl)-3,4-dihydro-1H-isoquinolin-3-yl]-N-methylmethanamine
PubChem CID55065813
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-[2-(3,3-dimethylbutyl)-3,4-dihydro-1H-isoquinolin-3-yl]-N-methylmethanamine
SMILESCNCC1Cc2ccccc2CN1CCC(C)(C)C
InChIInChI=1S/C17H28N2/c1-17(2,3)9-10-19-13-15-8-6-5-7-14(15)11-16(19)12-18-4/h5-8,16,18H,9-13H2,1-4H3
InChIKeyCGBKSZGGMIRGNY-UHFFFAOYSA-N
XLogP3.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,3-dimethylbutyl)-3,4-dihydro-1H-isoquinolin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3,3-dimethylbutyl)-3,4-dihydro-1H-isoquinolin-3-yl]-N-methylmethanamine (CID 55065813) is 1-[2-(3,3-dimethylbutyl)-3,4-dihydro-1H-isoquinolin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3,3-dimethylbutyl)-3,4-dihydro-1H-isoquinolin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3,3-dimethylbutyl)-3,4-dihydro-1H-isoquinolin-3-yl]-N-methylmethanamine is CNCC1Cc2ccccc2CN1CCC(C)(C)C.
What is the InChIKey of 1-[2-(3,3-dimethylbutyl)-3,4-dihydro-1H-isoquinolin-3-yl]-N-methylmethanamine?
The InChIKey is CGBKSZGGMIRGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-17(2,3)9-10-19-13-15-8-6-5-7-14(15)11-16(19)12-18-4/h5-8,16,18H,9-13H2,1-4H3.
What are the key properties of 1-[2-(3,3-dimethylbutyl)-3,4-dihydro-1H-isoquinolin-3-yl]-N-methylmethanamine?
1-[2-(3,3-dimethylbutyl)-3,4-dihydro-1H-isoquinolin-3-yl]-N-methylmethanamine has a molecular weight of 260.43 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,3-dimethylbutyl)-3,4-dihydro-1H-isoquinolin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 55065813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).