7-chloro-N-cyclohexylisoquinolin-3-amine

C15H17ClN2 — CID 134986887

IUPAC7-chloro-N-cyclohexylisoquinolin-3-amine
SMILESClc1ccc2cc(NC3CCCCC3)ncc2c1
InChIInChI=1S/C15H17ClN2/c16-13-7-6-11-9-15(17-10-12(11)8-13)18-14-4-2-1-3-5-14/h6-10,14H,1-5H2,(H,17,18)
InChIKeyWJFBOKSZIAUQAT-UHFFFAOYSA-N
MW260.77 g/mol
LogP4.63
Rot. Bonds2

About 7-chloro-N-cyclohexylisoquinolin-3-amine

7-chloro-N-cyclohexylisoquinolin-3-amine (PubChem CID 134986887) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is 7-chloro-N-cyclohexylisoquinolin-3-amine.

Molecular Properties

Compound Name7-chloro-N-cyclohexylisoquinolin-3-amine
PubChem CID134986887
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name7-chloro-N-cyclohexylisoquinolin-3-amine
SMILESClc1ccc2cc(NC3CCCCC3)ncc2c1
InChIInChI=1S/C15H17ClN2/c16-13-7-6-11-9-15(17-10-12(11)8-13)18-14-4-2-1-3-5-14/h6-10,14H,1-5H2,(H,17,18)
InChIKeyWJFBOKSZIAUQAT-UHFFFAOYSA-N
XLogP4.63
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-cyclobutylpyridin-2-amine
CID 62414394
4,7-dichloro-N-cyclohexylquinolin-2-amine
CID 162413926
6-(cyclohexylamino)-N-(2,5-dichlorophenyl)pyridine-3-carboxamide
CID 109152458
3-N-cyclohexyl-5-N-(2,4-dichlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112942542
3-N-cyclohexyl-5-N-(2,5-dichlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112942543
6-N-(4-chloro-2-methylphenyl)-4-N-cyclohexyl-2-methylpyrimidine-4,6-diamine
CID 112869075
2-chloro-N-cyclooctyl-6-methylpyrimidin-4-amine
CID 62477966
5-N-cyclohexyl-3-N-[2-(2,4-dichlorophenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112942263
3-N-[(4-chlorophenyl)methyl]-5-N-cyclohexyl-1,2,4-triazine-3,5-diamine
CID 112942208
4-chloro-N-cyclohexyl-2-fluoroaniline
CID 43716554
5-N-(5-chloro-2-methylphenyl)-3-N-cycloheptyl-1,2,4-triazine-3,5-diamine
CID 112959291
6-N-cyclohexyl-4-N-cyclopropylpyrimidine-4,6-diamine
CID 112854680

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-cyclohexylisoquinolin-3-amine?
The IUPAC name of 7-chloro-N-cyclohexylisoquinolin-3-amine (CID 134986887) is 7-chloro-N-cyclohexylisoquinolin-3-amine.
What is the SMILES notation for 7-chloro-N-cyclohexylisoquinolin-3-amine?
The canonical SMILES for 7-chloro-N-cyclohexylisoquinolin-3-amine is Clc1ccc2cc(NC3CCCCC3)ncc2c1.
What is the InChIKey of 7-chloro-N-cyclohexylisoquinolin-3-amine?
The InChIKey is WJFBOKSZIAUQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c16-13-7-6-11-9-15(17-10-12(11)8-13)18-14-4-2-1-3-5-14/h6-10,14H,1-5H2,(H,17,18).
What are the key properties of 7-chloro-N-cyclohexylisoquinolin-3-amine?
7-chloro-N-cyclohexylisoquinolin-3-amine has a molecular weight of 260.77 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-cyclohexylisoquinolin-3-amine is sourced from PubChem (CID 134986887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).