1-(2,2-dimethylcyclopropyl)-1-isoquinolin-8-yl-N-methylmethanamine

C16H20N2 — CID 107005206

IUPAC1-(2,2-dimethylcyclopropyl)-1-isoquinolin-8-yl-N-methylmethanamine
SMILESCNC(c1cccc2ccncc12)C1CC1(C)C
InChIInChI=1S/C16H20N2/c1-16(2)9-14(16)15(17-3)12-6-4-5-11-7-8-18-10-13(11)12/h4-8,10,14-15,17H,9H2,1-3H3
InChIKeyNVBXCJAPVODUIK-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.54
Rot. Bonds3

About 1-(2,2-dimethylcyclopropyl)-1-isoquinolin-8-yl-N-methylmethanamine

1-(2,2-dimethylcyclopropyl)-1-isoquinolin-8-yl-N-methylmethanamine (PubChem CID 107005206) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopropyl)-1-isoquinolin-8-yl-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopropyl)-1-isoquinolin-8-yl-N-methylmethanamine
PubChem CID107005206
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name1-(2,2-dimethylcyclopropyl)-1-isoquinolin-8-yl-N-methylmethanamine
SMILESCNC(c1cccc2ccncc12)C1CC1(C)C
InChIInChI=1S/C16H20N2/c1-16(2)9-14(16)15(17-3)12-6-4-5-11-7-8-18-10-13(11)12/h4-8,10,14-15,17H,9H2,1-3H3
InChIKeyNVBXCJAPVODUIK-UHFFFAOYSA-N
XLogP3.54
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cycloheptyl-1-isoquinolin-8-yl-N-methylmethanamine
CID 103136425
N-[(2,2-dimethylcyclopropyl)-isoquinolin-5-ylmethyl]ethanamine
CID 107004399
1-(1,4-dimethylpiperazin-2-yl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103143686
1-isoquinolin-8-yl-N-methyl-1-(2-methyloxolan-3-yl)methanamine
CID 103136814
1-(1,4-dithian-2-yl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103143696
1-isoquinolin-8-yl-N-methylpropan-1-amine
CID 103136782
1-isoquinolin-8-yl-N-methyl-1-(2-methylphenyl)methanamine
CID 103136230
1-isoquinolin-8-yl-N-methylbutan-1-amine
CID 103136371
1-(3,5-difluorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103136233
1-(2,2-dimethylcyclopropyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 107004239
3-cyclopentyl-1-isoquinolin-8-yl-N-methylpropan-1-amine
CID 103137487
1-(2-chlorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103136785

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopropyl)-1-isoquinolin-8-yl-N-methylmethanamine?
The IUPAC name of 1-(2,2-dimethylcyclopropyl)-1-isoquinolin-8-yl-N-methylmethanamine (CID 107005206) is 1-(2,2-dimethylcyclopropyl)-1-isoquinolin-8-yl-N-methylmethanamine.
What is the SMILES notation for 1-(2,2-dimethylcyclopropyl)-1-isoquinolin-8-yl-N-methylmethanamine?
The canonical SMILES for 1-(2,2-dimethylcyclopropyl)-1-isoquinolin-8-yl-N-methylmethanamine is CNC(c1cccc2ccncc12)C1CC1(C)C.
What is the InChIKey of 1-(2,2-dimethylcyclopropyl)-1-isoquinolin-8-yl-N-methylmethanamine?
The InChIKey is NVBXCJAPVODUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-16(2)9-14(16)15(17-3)12-6-4-5-11-7-8-18-10-13(11)12/h4-8,10,14-15,17H,9H2,1-3H3.
What are the key properties of 1-(2,2-dimethylcyclopropyl)-1-isoquinolin-8-yl-N-methylmethanamine?
1-(2,2-dimethylcyclopropyl)-1-isoquinolin-8-yl-N-methylmethanamine has a molecular weight of 240.35 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopropyl)-1-isoquinolin-8-yl-N-methylmethanamine is sourced from PubChem (CID 107005206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).