N-[isoquinolin-5-yl-(1-methylcyclohexyl)methyl]ethanamine

C19H26N2 — CID 106830050

IUPACN-[isoquinolin-5-yl-(1-methylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1cccc2cnccc12)C1(C)CCCCC1
InChIInChI=1S/C19H26N2/c1-3-21-18(19(2)11-5-4-6-12-19)17-9-7-8-15-14-20-13-10-16(15)17/h7-10,13-14,18,21H,3-6,11-12H2,1-2H3
InChIKeyHQARKWDBIKEZFE-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.86
Rot. Bonds4

About N-[isoquinolin-5-yl-(1-methylcyclohexyl)methyl]ethanamine

N-[isoquinolin-5-yl-(1-methylcyclohexyl)methyl]ethanamine (PubChem CID 106830050) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-[isoquinolin-5-yl-(1-methylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[isoquinolin-5-yl-(1-methylcyclohexyl)methyl]ethanamine
PubChem CID106830050
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC NameN-[isoquinolin-5-yl-(1-methylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1cccc2cnccc12)C1(C)CCCCC1
InChIInChI=1S/C19H26N2/c1-3-21-18(19(2)11-5-4-6-12-19)17-9-7-8-15-14-20-13-10-16(15)17/h7-10,13-14,18,21H,3-6,11-12H2,1-2H3
InChIKeyHQARKWDBIKEZFE-UHFFFAOYSA-N
XLogP4.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,2-dimethylcyclopropyl)-isoquinolin-5-ylmethyl]ethanamine
CID 107004399
N-[(3-fluoro-4-pyridinyl)-(1-methylcyclopentyl)methyl]ethanamine
CID 105038430
N-[isoquinolin-5-yl(pyridazin-4-yl)methyl]ethanamine
CID 105143467
(1-ethylcyclopentyl)-isoquinolin-5-ylmethanamine
CID 115853123
N-[(1-methylcyclopropyl)-quinolin-5-ylmethyl]ethanamine
CID 81232158
N-[(3-iodophenyl)-isoquinolin-5-ylmethyl]ethanamine
CID 115853165
N-[(2-chlorophenyl)-(1-methylcyclopentyl)methyl]ethanamine
CID 115801708
N-[isoquinolin-5-yl(pyridin-4-yl)methyl]propan-1-amine
CID 62814161
N-[isoquinolin-4-yl-(1-methoxycyclopentyl)methyl]ethanamine
CID 104611200
N-ethyl-1-isoquinolin-5-yl-2-propan-2-yloxyethanamine
CID 105143581
N-[1,4-dioxan-2-yl(isoquinolin-5-yl)methyl]ethanamine
CID 65352590
4-ethoxy-N-ethyl-1-isoquinolin-5-ylbutan-1-amine
CID 105143482

Frequently Asked Questions

What is the IUPAC name of N-[isoquinolin-5-yl-(1-methylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[isoquinolin-5-yl-(1-methylcyclohexyl)methyl]ethanamine (CID 106830050) is N-[isoquinolin-5-yl-(1-methylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[isoquinolin-5-yl-(1-methylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[isoquinolin-5-yl-(1-methylcyclohexyl)methyl]ethanamine is CCNC(c1cccc2cnccc12)C1(C)CCCCC1.
What is the InChIKey of N-[isoquinolin-5-yl-(1-methylcyclohexyl)methyl]ethanamine?
The InChIKey is HQARKWDBIKEZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-3-21-18(19(2)11-5-4-6-12-19)17-9-7-8-15-14-20-13-10-16(15)17/h7-10,13-14,18,21H,3-6,11-12H2,1-2H3.
What are the key properties of N-[isoquinolin-5-yl-(1-methylcyclohexyl)methyl]ethanamine?
N-[isoquinolin-5-yl-(1-methylcyclohexyl)methyl]ethanamine has a molecular weight of 282.43 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[isoquinolin-5-yl-(1-methylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 106830050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).