1-cycloheptyl-1-isoquinolin-8-yl-N-methylmethanamine

C18H24N2 — CID 103136425

IUPAC1-cycloheptyl-1-isoquinolin-8-yl-N-methylmethanamine
SMILESCNC(c1cccc2ccncc12)C1CCCCCC1
InChIInChI=1S/C18H24N2/c1-19-18(15-7-4-2-3-5-8-15)16-10-6-9-14-11-12-20-13-17(14)16/h6,9-13,15,18-19H,2-5,7-8H2,1H3
InChIKeyUGHJLBQIZWVNME-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.47
Rot. Bonds3

About 1-cycloheptyl-1-isoquinolin-8-yl-N-methylmethanamine

1-cycloheptyl-1-isoquinolin-8-yl-N-methylmethanamine (PubChem CID 103136425) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-cycloheptyl-1-isoquinolin-8-yl-N-methylmethanamine.

Molecular Properties

Compound Name1-cycloheptyl-1-isoquinolin-8-yl-N-methylmethanamine
PubChem CID103136425
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name1-cycloheptyl-1-isoquinolin-8-yl-N-methylmethanamine
SMILESCNC(c1cccc2ccncc12)C1CCCCCC1
InChIInChI=1S/C18H24N2/c1-19-18(15-7-4-2-3-5-8-15)16-10-6-9-14-11-12-20-13-17(14)16/h6,9-13,15,18-19H,2-5,7-8H2,1H3
InChIKeyUGHJLBQIZWVNME-UHFFFAOYSA-N
XLogP4.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-dimethylcyclopropyl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 107005206
1-isoquinolin-8-yl-N-methyl-1-(2-methyloxolan-3-yl)methanamine
CID 103136814
3-cyclopentyl-1-isoquinolin-8-yl-N-methylpropan-1-amine
CID 103137487
2-cyclohexyl-N-ethyl-1-isoquinolin-8-ylethanamine
CID 103136574
1-(1,4-dithian-2-yl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103143696
2-cyclohexyl-1-isoquinolin-8-ylethanamine
CID 103135918
1-cyclopentyl-N-methyl-1-quinolin-8-ylmethanamine
CID 81231662
1-(3-bicyclo[3.1.0]hexanyl)-1-isoquinolin-5-yl-N-methylmethanamine
CID 115852970
1-isoquinolin-5-yl-N-methyl-1-(3-methylcyclopentyl)methanamine
CID 65415186
1-(1,4-dimethylpiperazin-2-yl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103143686
1-cycloheptyl-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
CID 105065977
(3-cyclohexyl-1-isoquinolin-8-ylpropyl)hydrazine
CID 103141698

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-1-isoquinolin-8-yl-N-methylmethanamine?
The IUPAC name of 1-cycloheptyl-1-isoquinolin-8-yl-N-methylmethanamine (CID 103136425) is 1-cycloheptyl-1-isoquinolin-8-yl-N-methylmethanamine.
What is the SMILES notation for 1-cycloheptyl-1-isoquinolin-8-yl-N-methylmethanamine?
The canonical SMILES for 1-cycloheptyl-1-isoquinolin-8-yl-N-methylmethanamine is CNC(c1cccc2ccncc12)C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-1-isoquinolin-8-yl-N-methylmethanamine?
The InChIKey is UGHJLBQIZWVNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-19-18(15-7-4-2-3-5-8-15)16-10-6-9-14-11-12-20-13-17(14)16/h6,9-13,15,18-19H,2-5,7-8H2,1H3.
What are the key properties of 1-cycloheptyl-1-isoquinolin-8-yl-N-methylmethanamine?
1-cycloheptyl-1-isoquinolin-8-yl-N-methylmethanamine has a molecular weight of 268.40 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-1-isoquinolin-8-yl-N-methylmethanamine is sourced from PubChem (CID 103136425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).