4-N-[9-cyclopentyl-6-[2-(2-phenylethyl)hydrazinyl]purin-2-yl]cyclohexane-1,4-diamine

C24H34N8 — CID 18473325

IUPAC4-N-[9-cyclopentyl-6-[2-(2-phenylethyl)hydrazinyl]purin-2-yl]cyclohexane-1,4-diamine
SMILESNC1CCC(Nc2nc(NNCCc3ccccc3)c3ncn(C4CCCC4)c3n2)CC1
InChIInChI=1S/C24H34N8/c25-18-10-12-19(13-11-18)28-24-29-22(31-27-15-14-17-6-2-1-3-7-17)21-23(30-24)32(16-26-21)20-8-4-5-9-20/h1-3,6-7,16,18-20,27H,4-5,8-15,25H2,(H2,28,29,30,31)
InChIKeyWEPPYZKZIHHZIQ-UHFFFAOYSA-N
MW434.59 g/mol
LogP3.78
Rot. Bonds8

About 4-N-[9-cyclopentyl-6-[2-(2-phenylethyl)hydrazinyl]purin-2-yl]cyclohexane-1,4-diamine

4-N-[9-cyclopentyl-6-[2-(2-phenylethyl)hydrazinyl]purin-2-yl]cyclohexane-1,4-diamine (PubChem CID 18473325) has the molecular formula C24H34N8 and a molecular weight of 434.59 g/mol. Its IUPAC name is 4-N-[9-cyclopentyl-6-[2-(2-phenylethyl)hydrazinyl]purin-2-yl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[9-cyclopentyl-6-[2-(2-phenylethyl)hydrazinyl]purin-2-yl]cyclohexane-1,4-diamine
PubChem CID18473325
Molecular FormulaC24H34N8
Molecular Weight434.59 g/mol
Exact Mass434.29
IUPAC Name4-N-[9-cyclopentyl-6-[2-(2-phenylethyl)hydrazinyl]purin-2-yl]cyclohexane-1,4-diamine
SMILESNC1CCC(Nc2nc(NNCCc3ccccc3)c3ncn(C4CCCC4)c3n2)CC1
InChIInChI=1S/C24H34N8/c25-18-10-12-19(13-11-18)28-24-29-22(31-27-15-14-17-6-2-1-3-7-17)21-23(30-24)32(16-26-21)20-8-4-5-9-20/h1-3,6-7,16,18-20,27H,4-5,8-15,25H2,(H2,28,29,30,31)
InChIKeyWEPPYZKZIHHZIQ-UHFFFAOYSA-N
XLogP3.78
TPSA105.71 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.59
LogP ≤ 53.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-[9-cyclopentyl-6-[2-(2-phenylethyl)hydrazinyl]purin-2-yl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[9-cyclopentyl-6-[2-(2-phenylethyl)hydrazinyl]purin-2-yl]cyclohexane-1,4-diamine (CID 18473325) is 4-N-[9-cyclopentyl-6-[2-(2-phenylethyl)hydrazinyl]purin-2-yl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[9-cyclopentyl-6-[2-(2-phenylethyl)hydrazinyl]purin-2-yl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[9-cyclopentyl-6-[2-(2-phenylethyl)hydrazinyl]purin-2-yl]cyclohexane-1,4-diamine is NC1CCC(Nc2nc(NNCCc3ccccc3)c3ncn(C4CCCC4)c3n2)CC1.
What is the InChIKey of 4-N-[9-cyclopentyl-6-[2-(2-phenylethyl)hydrazinyl]purin-2-yl]cyclohexane-1,4-diamine?
The InChIKey is WEPPYZKZIHHZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N8/c25-18-10-12-19(13-11-18)28-24-29-22(31-27-15-14-17-6-2-1-3-7-17)21-23(30-24)32(16-26-21)20-8-4-5-9-20/h1-3,6-7,16,18-20,27H,4-5,8-15,25H2,(H2,28,29,30,31).
What are the key properties of 4-N-[9-cyclopentyl-6-[2-(2-phenylethyl)hydrazinyl]purin-2-yl]cyclohexane-1,4-diamine?
4-N-[9-cyclopentyl-6-[2-(2-phenylethyl)hydrazinyl]purin-2-yl]cyclohexane-1,4-diamine has a molecular weight of 434.59 g/mol, XLogP of 3.78, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[9-cyclopentyl-6-[2-(2-phenylethyl)hydrazinyl]purin-2-yl]cyclohexane-1,4-diamine is sourced from PubChem (CID 18473325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).