N-[(3R)-1-(cyclohexylmethyl)pyrrolidin-3-yl]isoquinolin-6-amine

C20H27N3 — CID 59290831

IUPACN-[(3R)-1-(cyclohexylmethyl)pyrrolidin-3-yl]isoquinolin-6-amine
SMILESc1cc2cc(N[C@@H]3CCN(CC4CCCCC4)C3)ccc2cn1
InChIInChI=1S/C20H27N3/c1-2-4-16(5-3-1)14-23-11-9-20(15-23)22-19-7-6-18-13-21-10-8-17(18)12-19/h6-8,10,12-13,16,20,22H,1-5,9,11,14-15H2/t20-/m1/s1
InChIKeyXSCGCJVYWJILGD-HXUWFJFHSA-N
MW309.46 g/mol
LogP4.30
Rot. Bonds4

About N-[(3R)-1-(cyclohexylmethyl)pyrrolidin-3-yl]isoquinolin-6-amine

N-[(3R)-1-(cyclohexylmethyl)pyrrolidin-3-yl]isoquinolin-6-amine (PubChem CID 59290831) has the molecular formula C20H27N3 and a molecular weight of 309.46 g/mol. Its IUPAC name is N-[(3R)-1-(cyclohexylmethyl)pyrrolidin-3-yl]isoquinolin-6-amine.

Molecular Properties

Compound NameN-[(3R)-1-(cyclohexylmethyl)pyrrolidin-3-yl]isoquinolin-6-amine
PubChem CID59290831
Molecular FormulaC20H27N3
Molecular Weight309.46 g/mol
Exact Mass309.22
IUPAC NameN-[(3R)-1-(cyclohexylmethyl)pyrrolidin-3-yl]isoquinolin-6-amine
SMILESc1cc2cc(N[C@@H]3CCN(CC4CCCCC4)C3)ccc2cn1
InChIInChI=1S/C20H27N3/c1-2-4-16(5-3-1)14-23-11-9-20(15-23)22-19-7-6-18-13-21-10-8-17(18)12-19/h6-8,10,12-13,16,20,22H,1-5,9,11,14-15H2/t20-/m1/s1
InChIKeyXSCGCJVYWJILGD-HXUWFJFHSA-N
XLogP4.30
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(cyclohexylmethyl)pyrrolidin-3-yl]isoquinolin-6-amine?
The IUPAC name of N-[(3R)-1-(cyclohexylmethyl)pyrrolidin-3-yl]isoquinolin-6-amine (CID 59290831) is N-[(3R)-1-(cyclohexylmethyl)pyrrolidin-3-yl]isoquinolin-6-amine.
What is the SMILES notation for N-[(3R)-1-(cyclohexylmethyl)pyrrolidin-3-yl]isoquinolin-6-amine?
The canonical SMILES for N-[(3R)-1-(cyclohexylmethyl)pyrrolidin-3-yl]isoquinolin-6-amine is c1cc2cc(N[C@@H]3CCN(CC4CCCCC4)C3)ccc2cn1.
What is the InChIKey of N-[(3R)-1-(cyclohexylmethyl)pyrrolidin-3-yl]isoquinolin-6-amine?
The InChIKey is XSCGCJVYWJILGD-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H27N3/c1-2-4-16(5-3-1)14-23-11-9-20(15-23)22-19-7-6-18-13-21-10-8-17(18)12-19/h6-8,10,12-13,16,20,22H,1-5,9,11,14-15H2/t20-/m1/s1.
What are the key properties of N-[(3R)-1-(cyclohexylmethyl)pyrrolidin-3-yl]isoquinolin-6-amine?
N-[(3R)-1-(cyclohexylmethyl)pyrrolidin-3-yl]isoquinolin-6-amine has a molecular weight of 309.46 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(cyclohexylmethyl)pyrrolidin-3-yl]isoquinolin-6-amine is sourced from PubChem (CID 59290831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).