isoquinolin-5-yl-(4-propan-2-ylcyclohexyl)methanamine

C19H26N2 — CID 65425147

IUPACisoquinolin-5-yl-(4-propan-2-ylcyclohexyl)methanamine
SMILESCC(C)C1CCC(C(N)c2cccc3cnccc23)CC1
InChIInChI=1S/C19H26N2/c1-13(2)14-6-8-15(9-7-14)19(20)18-5-3-4-16-12-21-11-10-17(16)18/h3-5,10-15,19H,6-9,20H2,1-2H3
InChIKeyCAHLHQZKYXPKQZ-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.70
Rot. Bonds3

About isoquinolin-5-yl-(4-propan-2-ylcyclohexyl)methanamine

isoquinolin-5-yl-(4-propan-2-ylcyclohexyl)methanamine (PubChem CID 65425147) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is isoquinolin-5-yl-(4-propan-2-ylcyclohexyl)methanamine.

Molecular Properties

Compound Nameisoquinolin-5-yl-(4-propan-2-ylcyclohexyl)methanamine
PubChem CID65425147
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Nameisoquinolin-5-yl-(4-propan-2-ylcyclohexyl)methanamine
SMILESCC(C)C1CCC(C(N)c2cccc3cnccc23)CC1
InChIInChI=1S/C19H26N2/c1-13(2)14-6-8-15(9-7-14)19(20)18-5-3-4-16-12-21-11-10-17(16)18/h3-5,10-15,19H,6-9,20H2,1-2H3
InChIKeyCAHLHQZKYXPKQZ-UHFFFAOYSA-N
XLogP4.70
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze isoquinolin-5-yl-(4-propan-2-ylcyclohexyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopropyl-1-isoquinolin-5-yl-2-methoxyethanamine
CID 116721851
isoquinolin-5-yl-(3-methyloxolan-2-yl)methanamine
CID 115853236
cyclopropyl(isoquinolin-4-yl)methanamine
CID 63939976
2,3-dihydro-1H-inden-1-yl(isoquinolin-5-yl)methanamine
CID 65405520
(1S)-1-isoquinolin-5-ylethanol
CID 94831084
(1S)-1-isoquinolin-5-ylpropan-1-amine
CID 55253697
1-isoquinolin-5-yl-2-methoxypropan-1-amine
CID 79617511
1-isoquinolin-5-yl-2-methylbutan-1-amine
CID 63719434
1,4-dioxan-2-yl(isoquinolin-5-yl)methanamine
CID 65352259
[(3-ethylcyclopentyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105233617
isoquinolin-5-yl-(4-methylmorpholin-2-yl)methanamine
CID 79092758
1-isoquinolin-5-yl-N-methyl-1-(3-methylcyclopentyl)methanamine
CID 65415186

Frequently Asked Questions

What is the IUPAC name of isoquinolin-5-yl-(4-propan-2-ylcyclohexyl)methanamine?
The IUPAC name of isoquinolin-5-yl-(4-propan-2-ylcyclohexyl)methanamine (CID 65425147) is isoquinolin-5-yl-(4-propan-2-ylcyclohexyl)methanamine.
What is the SMILES notation for isoquinolin-5-yl-(4-propan-2-ylcyclohexyl)methanamine?
The canonical SMILES for isoquinolin-5-yl-(4-propan-2-ylcyclohexyl)methanamine is CC(C)C1CCC(C(N)c2cccc3cnccc23)CC1.
What is the InChIKey of isoquinolin-5-yl-(4-propan-2-ylcyclohexyl)methanamine?
The InChIKey is CAHLHQZKYXPKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-13(2)14-6-8-15(9-7-14)19(20)18-5-3-4-16-12-21-11-10-17(16)18/h3-5,10-15,19H,6-9,20H2,1-2H3.
What are the key properties of isoquinolin-5-yl-(4-propan-2-ylcyclohexyl)methanamine?
isoquinolin-5-yl-(4-propan-2-ylcyclohexyl)methanamine has a molecular weight of 282.43 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinolin-5-yl-(4-propan-2-ylcyclohexyl)methanamine is sourced from PubChem (CID 65425147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).