N-[[4-(2,3-dihydroimidazo[2,1-a]isoquinolin-5-yl)phenyl]methyl]-N-propan-2-ylpropan-2-amine;dihydrochloride

C24H31Cl2N3 — CID 14676778

IUPACN-[[4-(2,3-dihydroimidazo[2,1-a]isoquinolin-5-yl)phenyl]methyl]-N-propan-2-ylpropan-2-amine;dihydrochloride
SMILESCC(C)N(Cc1ccc(C2=Cc3ccccc3C3=NCCN23)cc1)C(C)C.Cl.Cl
InChIInChI=1S/C24H29N3.2ClH/c1-17(2)27(18(3)4)16-19-9-11-20(12-10-19)23-15-21-7-5-6-8-22(21)24-25-13-14-26(23)24;;/h5-12,15,17-18H,13-14,16H2,1-4H3;2*1H
InChIKeyCYSSEPPZRRLFSP-UHFFFAOYSA-N
MW432.44 g/mol
LogP5.72
Rot. Bonds5

About N-[[4-(2,3-dihydroimidazo[2,1-a]isoquinolin-5-yl)phenyl]methyl]-N-propan-2-ylpropan-2-amine;dihydrochloride

N-[[4-(2,3-dihydroimidazo[2,1-a]isoquinolin-5-yl)phenyl]methyl]-N-propan-2-ylpropan-2-amine;dihydrochloride (PubChem CID 14676778) has the molecular formula C24H31Cl2N3 and a molecular weight of 432.44 g/mol. Its IUPAC name is N-[[4-(2,3-dihydroimidazo[2,1-a]isoquinolin-5-yl)phenyl]methyl]-N-propan-2-ylpropan-2-amine;dihydrochloride.

Molecular Properties

Compound NameN-[[4-(2,3-dihydroimidazo[2,1-a]isoquinolin-5-yl)phenyl]methyl]-N-propan-2-ylpropan-2-amine;dihydrochloride
PubChem CID14676778
Molecular FormulaC24H31Cl2N3
Molecular Weight432.44 g/mol
Exact Mass431.19
IUPAC NameN-[[4-(2,3-dihydroimidazo[2,1-a]isoquinolin-5-yl)phenyl]methyl]-N-propan-2-ylpropan-2-amine;dihydrochloride
SMILESCC(C)N(Cc1ccc(C2=Cc3ccccc3C3=NCCN23)cc1)C(C)C.Cl.Cl
InChIInChI=1S/C24H29N3.2ClH/c1-17(2)27(18(3)4)16-19-9-11-20(12-10-19)23-15-21-7-5-6-8-22(21)24-25-13-14-26(23)24;;/h5-12,15,17-18H,13-14,16H2,1-4H3;2*1H
InChIKeyCYSSEPPZRRLFSP-UHFFFAOYSA-N
XLogP5.72
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.44
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,3-dihydroimidazo[2,1-a]isoquinolin-5-yl)phenyl]methyl]-N-propan-2-ylpropan-2-amine;dihydrochloride?
The IUPAC name of N-[[4-(2,3-dihydroimidazo[2,1-a]isoquinolin-5-yl)phenyl]methyl]-N-propan-2-ylpropan-2-amine;dihydrochloride (CID 14676778) is N-[[4-(2,3-dihydroimidazo[2,1-a]isoquinolin-5-yl)phenyl]methyl]-N-propan-2-ylpropan-2-amine;dihydrochloride.
What is the SMILES notation for N-[[4-(2,3-dihydroimidazo[2,1-a]isoquinolin-5-yl)phenyl]methyl]-N-propan-2-ylpropan-2-amine;dihydrochloride?
The canonical SMILES for N-[[4-(2,3-dihydroimidazo[2,1-a]isoquinolin-5-yl)phenyl]methyl]-N-propan-2-ylpropan-2-amine;dihydrochloride is CC(C)N(Cc1ccc(C2=Cc3ccccc3C3=NCCN23)cc1)C(C)C.Cl.Cl.
What is the InChIKey of N-[[4-(2,3-dihydroimidazo[2,1-a]isoquinolin-5-yl)phenyl]methyl]-N-propan-2-ylpropan-2-amine;dihydrochloride?
The InChIKey is CYSSEPPZRRLFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3.2ClH/c1-17(2)27(18(3)4)16-19-9-11-20(12-10-19)23-15-21-7-5-6-8-22(21)24-25-13-14-26(23)24;;/h5-12,15,17-18H,13-14,16H2,1-4H3;2*1H.
What are the key properties of N-[[4-(2,3-dihydroimidazo[2,1-a]isoquinolin-5-yl)phenyl]methyl]-N-propan-2-ylpropan-2-amine;dihydrochloride?
N-[[4-(2,3-dihydroimidazo[2,1-a]isoquinolin-5-yl)phenyl]methyl]-N-propan-2-ylpropan-2-amine;dihydrochloride has a molecular weight of 432.44 g/mol, XLogP of 5.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,3-dihydroimidazo[2,1-a]isoquinolin-5-yl)phenyl]methyl]-N-propan-2-ylpropan-2-amine;dihydrochloride is sourced from PubChem (CID 14676778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).