N,N-bis(isoquinolin-1-ylmethyl)propan-2-amine

C23H23N3 — CID 59404292

IUPACN,N-bis(isoquinolin-1-ylmethyl)propan-2-amine
SMILESCC(C)N(Cc1nccc2ccccc12)Cc1nccc2ccccc12
InChIInChI=1S/C23H23N3/c1-17(2)26(15-22-20-9-5-3-7-18(20)11-13-24-22)16-23-21-10-6-4-8-19(21)12-14-25-23/h3-14,17H,15-16H2,1-2H3
InChIKeyPBUHESSKNGGACD-UHFFFAOYSA-N
MW341.46 g/mol
LogP5.19
Rot. Bonds5

About N,N-bis(isoquinolin-1-ylmethyl)propan-2-amine

N,N-bis(isoquinolin-1-ylmethyl)propan-2-amine (PubChem CID 59404292) has the molecular formula C23H23N3 and a molecular weight of 341.46 g/mol. Its IUPAC name is N,N-bis(isoquinolin-1-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN,N-bis(isoquinolin-1-ylmethyl)propan-2-amine
PubChem CID59404292
Molecular FormulaC23H23N3
Molecular Weight341.46 g/mol
Exact Mass341.19
IUPAC NameN,N-bis(isoquinolin-1-ylmethyl)propan-2-amine
SMILESCC(C)N(Cc1nccc2ccccc12)Cc1nccc2ccccc12
InChIInChI=1S/C23H23N3/c1-17(2)26(15-22-20-9-5-3-7-18(20)11-13-24-22)16-23-21-10-6-4-8-19(21)12-14-25-23/h3-14,17H,15-16H2,1-2H3
InChIKeyPBUHESSKNGGACD-UHFFFAOYSA-N
XLogP5.19
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.46
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(isoquinolin-1-ylmethyl)propan-2-amine?
The IUPAC name of N,N-bis(isoquinolin-1-ylmethyl)propan-2-amine (CID 59404292) is N,N-bis(isoquinolin-1-ylmethyl)propan-2-amine.
What is the SMILES notation for N,N-bis(isoquinolin-1-ylmethyl)propan-2-amine?
The canonical SMILES for N,N-bis(isoquinolin-1-ylmethyl)propan-2-amine is CC(C)N(Cc1nccc2ccccc12)Cc1nccc2ccccc12.
What is the InChIKey of N,N-bis(isoquinolin-1-ylmethyl)propan-2-amine?
The InChIKey is PBUHESSKNGGACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3/c1-17(2)26(15-22-20-9-5-3-7-18(20)11-13-24-22)16-23-21-10-6-4-8-19(21)12-14-25-23/h3-14,17H,15-16H2,1-2H3.
What are the key properties of N,N-bis(isoquinolin-1-ylmethyl)propan-2-amine?
N,N-bis(isoquinolin-1-ylmethyl)propan-2-amine has a molecular weight of 341.46 g/mol, XLogP of 5.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(isoquinolin-1-ylmethyl)propan-2-amine is sourced from PubChem (CID 59404292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).