CID 87963574

C25H30AsN2 — CID 87963574

IUPAC—
SMILESCC(C)C1CCC([As]c2ncc(CCc3cccnc3)c3ccccc23)CC1
InChIInChI=1S/C25H30AsN2/c1-18(2)20-11-13-22(14-12-20)26-25-24-8-4-3-7-23(24)21(17-28-25)10-9-19-6-5-15-27-16-19/h3-8,15-18,20,22H,9-14H2,1-2H3
InChIKeyCPHVARYFXQTEGC-UHFFFAOYSA-N
MW433.45 g/mol
LogP5.38
Rot. Bonds6

About CID 87963574

CID 87963574 (PubChem CID 87963574) has the molecular formula C25H30AsN2 and a molecular weight of 433.45 g/mol.

Molecular Properties

Compound NameCID 87963574
PubChem CID87963574
Molecular FormulaC25H30AsN2
Molecular Weight433.45 g/mol
Exact Mass433.16
IUPAC Name—
SMILESCC(C)C1CCC([As]c2ncc(CCc3cccnc3)c3ccccc23)CC1
InChIInChI=1S/C25H30AsN2/c1-18(2)20-11-13-22(14-12-20)26-25-24-8-4-3-7-23(24)21(17-28-25)10-9-19-6-5-15-27-16-19/h3-8,15-18,20,22H,9-14H2,1-2H3
InChIKeyCPHVARYFXQTEGC-UHFFFAOYSA-N
XLogP5.38
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.45
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorophenyl)-4-(2-pyridin-3-ylethyl)isoquinolin-1-amine
CID 10155407
3-[3-[3-(3-phenylpropyl)-2-propan-2-yloxyphenyl]propyl]pyridine
CID 54369431
3-(2-phenylethyl)pyridine;hydrochloride
CID 71669595
N-(3-bromo-4-methylphenyl)-4-(2-pyridin-3-ylethyl)isoquinolin-1-amine
CID 10136776
3-(2-pyridin-3-ylethyl)-1H-indole
CID 19005702
N-[[4-propan-2-yl-2-(pyridin-3-ylmethyl)cyclohexyl]methyl]cyclopropanamine
CID 104737416
N-[1-oxo-3-phenyl-1-(pyridin-3-ylmethylamino)propan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide
CID 78149656
2-(2-pyridin-3-ylethyl)aniline;dihydrochloride
CID 45075131
1-cyclobutyl-N-(2-pyridin-3-ylethyl)propan-2-amine
CID 115709042
1-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]ethanamine;dihydrochloride
CID 119920848
1-cycloheptyl-N-methyl-3-pyridin-3-ylpropan-1-amine
CID 105176320
N-[3-chloro-5-(trifluoromethyl)phenyl]-4-(2-pyridin-3-ylethyl)isoquinolin-1-amine
CID 10224420

Frequently Asked Questions

What is the IUPAC name of CID 87963574?
The IUPAC name of CID 87963574 (CID 87963574) is not available.
What is the SMILES notation for CID 87963574?
The canonical SMILES for CID 87963574 is CC(C)C1CCC([As]c2ncc(CCc3cccnc3)c3ccccc23)CC1.
What is the InChIKey of CID 87963574?
The InChIKey is CPHVARYFXQTEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30AsN2/c1-18(2)20-11-13-22(14-12-20)26-25-24-8-4-3-7-23(24)21(17-28-25)10-9-19-6-5-15-27-16-19/h3-8,15-18,20,22H,9-14H2,1-2H3.
What are the key properties of CID 87963574?
CID 87963574 has a molecular weight of 433.45 g/mol, XLogP of 5.38, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87963574 is sourced from PubChem (CID 87963574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).