5-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]piperidin-1-yl]pent-4-enal

C26H40N8O — CID 173224325

IUPAC5-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]piperidin-1-yl]pent-4-enal
SMILESNC1CCC(Nc2nc(NC3CCN(C=CCCC=O)CC3)c3ncn(C4CCCC4)c3n2)CC1
InChIInChI=1S/C26H40N8O/c27-19-8-10-20(11-9-19)30-26-31-24(23-25(32-26)34(18-28-23)22-6-2-3-7-22)29-21-12-15-33(16-13-21)14-4-1-5-17-35/h4,14,17-22H,1-3,5-13,15-16,27H2,(H2,29,30,31,32)
InChIKeyPZYSUNWBXPZIFQ-UHFFFAOYSA-N
MW480.66 g/mol
LogP3.99
Rot. Bonds9

About 5-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]piperidin-1-yl]pent-4-enal

5-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]piperidin-1-yl]pent-4-enal (PubChem CID 173224325) has the molecular formula C26H40N8O and a molecular weight of 480.66 g/mol. Its IUPAC name is 5-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]piperidin-1-yl]pent-4-enal.

Molecular Properties

Compound Name5-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]piperidin-1-yl]pent-4-enal
PubChem CID173224325
Molecular FormulaC26H40N8O
Molecular Weight480.66 g/mol
Exact Mass480.33
IUPAC Name5-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]piperidin-1-yl]pent-4-enal
SMILESNC1CCC(Nc2nc(NC3CCN(C=CCCC=O)CC3)c3ncn(C4CCCC4)c3n2)CC1
InChIInChI=1S/C26H40N8O/c27-19-8-10-20(11-9-19)30-26-31-24(23-25(32-26)34(18-28-23)22-6-2-3-7-22)29-21-12-15-33(16-13-21)14-4-1-5-17-35/h4,14,17-22H,1-3,5-13,15-16,27H2,(H2,29,30,31,32)
InChIKeyPZYSUNWBXPZIFQ-UHFFFAOYSA-N
XLogP3.99
TPSA113.99 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.66
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 5-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]piperidin-1-yl]pent-4-enal with MolForge

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Launch Full Analysis

Related Compounds

2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[1-(cyclopropylmethyl)piperidin-4-yl]purine-2,6-diamine
CID 22896340
1-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]piperidin-1-yl]but-2-en-1-one;dihydrochloride
CID 69019122
ethyl 3-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]piperidin-1-yl]-3-oxopropanoate
CID 10121127
4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]-N-ethylpiperidine-1-carboxamide
CID 69021040
1-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]piperidin-1-yl]-3-methylbut-2-en-1-one;dihydrochloride
CID 10166237
[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]piperidin-1-yl] 2-methylpropyl carbonate;dihydrochloride
CID 69020847
1-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]piperidin-1-yl]pentan-1-one
CID 10144126
2-N-(4-aminocyclohexyl)-6-N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-9-cyclopentylpurine-2,6-diamine
CID 22896351
1-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]piperidin-1-yl]-2-hydroxy-2-phenylethanone;dihydrochloride
CID 22563806
4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]-N-propan-2-ylpiperidine-1-carboxamide;dihydrochloride
CID 69022365
1-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]piperidin-1-yl]pentan-1-one;dihydrochloride
CID 10144125
6-N-(4-aminocyclohexyl)-9-cyclopentyl-2-N-[1-[3-(diethylamino)propyl]piperidin-4-yl]purine-2,6-diamine
CID 10128431

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]piperidin-1-yl]pent-4-enal?
The IUPAC name of 5-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]piperidin-1-yl]pent-4-enal (CID 173224325) is 5-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]piperidin-1-yl]pent-4-enal.
What is the SMILES notation for 5-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]piperidin-1-yl]pent-4-enal?
The canonical SMILES for 5-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]piperidin-1-yl]pent-4-enal is NC1CCC(Nc2nc(NC3CCN(C=CCCC=O)CC3)c3ncn(C4CCCC4)c3n2)CC1.
What is the InChIKey of 5-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]piperidin-1-yl]pent-4-enal?
The InChIKey is PZYSUNWBXPZIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N8O/c27-19-8-10-20(11-9-19)30-26-31-24(23-25(32-26)34(18-28-23)22-6-2-3-7-22)29-21-12-15-33(16-13-21)14-4-1-5-17-35/h4,14,17-22H,1-3,5-13,15-16,27H2,(H2,29,30,31,32).
What are the key properties of 5-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]piperidin-1-yl]pent-4-enal?
5-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]piperidin-1-yl]pent-4-enal has a molecular weight of 480.66 g/mol, XLogP of 3.99, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]piperidin-1-yl]pent-4-enal is sourced from PubChem (CID 173224325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).