1-(1,2-diethyl-3,4-dihydro-1H-isoquinolin-6-yl)-N,N-dimethylmethanamine

C16H26N2 — CID 112721605

IUPAC1-(1,2-diethyl-3,4-dihydro-1H-isoquinolin-6-yl)-N,N-dimethylmethanamine
SMILESCCC1c2ccc(CN(C)C)cc2CCN1CC
InChIInChI=1S/C16H26N2/c1-5-16-15-8-7-13(12-17(3)4)11-14(15)9-10-18(16)6-2/h7-8,11,16H,5-6,9-10,12H2,1-4H3
InChIKeyPXZRAGUNKXRGPP-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.08
Rot. Bonds4

About 1-(1,2-diethyl-3,4-dihydro-1H-isoquinolin-6-yl)-N,N-dimethylmethanamine

1-(1,2-diethyl-3,4-dihydro-1H-isoquinolin-6-yl)-N,N-dimethylmethanamine (PubChem CID 112721605) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-(1,2-diethyl-3,4-dihydro-1H-isoquinolin-6-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(1,2-diethyl-3,4-dihydro-1H-isoquinolin-6-yl)-N,N-dimethylmethanamine
PubChem CID112721605
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-(1,2-diethyl-3,4-dihydro-1H-isoquinolin-6-yl)-N,N-dimethylmethanamine
SMILESCCC1c2ccc(CN(C)C)cc2CCN1CC
InChIInChI=1S/C16H26N2/c1-5-16-15-8-7-13(12-17(3)4)11-14(15)9-10-18(16)6-2/h7-8,11,16H,5-6,9-10,12H2,1-4H3
InChIKeyPXZRAGUNKXRGPP-UHFFFAOYSA-N
XLogP3.08
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-diethyl-6-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 112721608
4-[(2-ethyl-1-propyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]morpholine
CID 112721612
2-ethyl-6-(piperazin-1-ylmethyl)-1-propyl-3,4-dihydro-1H-isoquinoline
CID 83956680
(2-ethyl-1-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methanol
CID 83956657
1-[(3,4-dimethoxyphenyl)methyl]-2-ethyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 3100778
N-ethyl-N-[[1-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methyl]ethanamine
CID 112721623
1-[2-[(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-5-yl]-N,N-dimethylmethanamine
CID 126838082
2-[(1,2-diethyl-7-methoxy-3,4-dihydro-1H-isoquinolin-6-yl)methylamino]ethanol
CID 83957086
3-[(7-ethoxy-1,2-diethyl-3,4-dihydro-1H-isoquinolin-6-yl)methylamino]propan-1-ol
CID 83956373
1-[7-[(dimethylamino)methyl]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-2,2,2-trifluoroethanone
CID 86604290
[6-[(dimethylamino)methyl]-2-methyl-1,3-dihydroisoindol-1-yl]methanamine
CID 82544636
N,N-dimethyl-1-[4-(4-methylpiperazin-1-yl)phenyl]methanamine
CID 82538094

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-diethyl-3,4-dihydro-1H-isoquinolin-6-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(1,2-diethyl-3,4-dihydro-1H-isoquinolin-6-yl)-N,N-dimethylmethanamine (CID 112721605) is 1-(1,2-diethyl-3,4-dihydro-1H-isoquinolin-6-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(1,2-diethyl-3,4-dihydro-1H-isoquinolin-6-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(1,2-diethyl-3,4-dihydro-1H-isoquinolin-6-yl)-N,N-dimethylmethanamine is CCC1c2ccc(CN(C)C)cc2CCN1CC.
What is the InChIKey of 1-(1,2-diethyl-3,4-dihydro-1H-isoquinolin-6-yl)-N,N-dimethylmethanamine?
The InChIKey is PXZRAGUNKXRGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-5-16-15-8-7-13(12-17(3)4)11-14(15)9-10-18(16)6-2/h7-8,11,16H,5-6,9-10,12H2,1-4H3.
What are the key properties of 1-(1,2-diethyl-3,4-dihydro-1H-isoquinolin-6-yl)-N,N-dimethylmethanamine?
1-(1,2-diethyl-3,4-dihydro-1H-isoquinolin-6-yl)-N,N-dimethylmethanamine has a molecular weight of 246.40 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-diethyl-3,4-dihydro-1H-isoquinolin-6-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 112721605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).