N,3-dimethyl-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)butan-1-amine

C16H26N2 — CID 116995636

IUPACN,3-dimethyl-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)butan-1-amine
SMILESCNCC(C(C)C)C1c2ccccc2CCN1C
InChIInChI=1S/C16H26N2/c1-12(2)15(11-17-3)16-14-8-6-5-7-13(14)9-10-18(16)4/h5-8,12,15-17H,9-11H2,1-4H3
InChIKeyWUEDLQGLQGUANM-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.71
Rot. Bonds4

About N,3-dimethyl-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)butan-1-amine

N,3-dimethyl-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)butan-1-amine (PubChem CID 116995636) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N,3-dimethyl-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)butan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)butan-1-amine
PubChem CID116995636
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN,3-dimethyl-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)butan-1-amine
SMILESCNCC(C(C)C)C1c2ccccc2CCN1C
InChIInChI=1S/C16H26N2/c1-12(2)15(11-17-3)16-14-8-6-5-7-13(14)9-10-18(16)4/h5-8,12,15-17H,9-11H2,1-4H3
InChIKeyWUEDLQGLQGUANM-UHFFFAOYSA-N
XLogP2.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)butan-1-amine?
The IUPAC name of N,3-dimethyl-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)butan-1-amine (CID 116995636) is N,3-dimethyl-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)butan-1-amine.
What is the SMILES notation for N,3-dimethyl-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)butan-1-amine?
The canonical SMILES for N,3-dimethyl-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)butan-1-amine is CNCC(C(C)C)C1c2ccccc2CCN1C.
What is the InChIKey of N,3-dimethyl-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)butan-1-amine?
The InChIKey is WUEDLQGLQGUANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12(2)15(11-17-3)16-14-8-6-5-7-13(14)9-10-18(16)4/h5-8,12,15-17H,9-11H2,1-4H3.
What are the key properties of N,3-dimethyl-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)butan-1-amine?
N,3-dimethyl-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)butan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)butan-1-amine is sourced from PubChem (CID 116995636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).