N-cyclohexyl-3-cyclopropylisoquinolin-1-amine

C18H22N2 — CID 53474775

IUPACN-cyclohexyl-3-cyclopropylisoquinolin-1-amine
SMILESc1ccc2c(NC3CCCCC3)nc(C3CC3)cc2c1
InChIInChI=1S/C18H22N2/c1-2-7-15(8-3-1)19-18-16-9-5-4-6-14(16)12-17(20-18)13-10-11-13/h4-6,9,12-13,15H,1-3,7-8,10-11H2,(H,19,20)
InChIKeyCHODRWOPCIPNMG-UHFFFAOYSA-N
MW266.39 g/mol
LogP4.86
Rot. Bonds3

About N-cyclohexyl-3-cyclopropylisoquinolin-1-amine

N-cyclohexyl-3-cyclopropylisoquinolin-1-amine (PubChem CID 53474775) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is N-cyclohexyl-3-cyclopropylisoquinolin-1-amine.

Molecular Properties

Compound NameN-cyclohexyl-3-cyclopropylisoquinolin-1-amine
PubChem CID53474775
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC NameN-cyclohexyl-3-cyclopropylisoquinolin-1-amine
SMILESc1ccc2c(NC3CCCCC3)nc(C3CC3)cc2c1
InChIInChI=1S/C18H22N2/c1-2-7-15(8-3-1)19-18-16-9-5-4-6-14(16)12-17(20-18)13-10-11-13/h4-6,9,12-13,15H,1-3,7-8,10-11H2,(H,19,20)
InChIKeyCHODRWOPCIPNMG-UHFFFAOYSA-N
XLogP4.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-cyclopropylisoquinolin-1-amine?
The IUPAC name of N-cyclohexyl-3-cyclopropylisoquinolin-1-amine (CID 53474775) is N-cyclohexyl-3-cyclopropylisoquinolin-1-amine.
What is the SMILES notation for N-cyclohexyl-3-cyclopropylisoquinolin-1-amine?
The canonical SMILES for N-cyclohexyl-3-cyclopropylisoquinolin-1-amine is c1ccc2c(NC3CCCCC3)nc(C3CC3)cc2c1.
What is the InChIKey of N-cyclohexyl-3-cyclopropylisoquinolin-1-amine?
The InChIKey is CHODRWOPCIPNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-2-7-15(8-3-1)19-18-16-9-5-4-6-14(16)12-17(20-18)13-10-11-13/h4-6,9,12-13,15H,1-3,7-8,10-11H2,(H,19,20).
What are the key properties of N-cyclohexyl-3-cyclopropylisoquinolin-1-amine?
N-cyclohexyl-3-cyclopropylisoquinolin-1-amine has a molecular weight of 266.39 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-cyclopropylisoquinolin-1-amine is sourced from PubChem (CID 53474775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).