N-(2-cyclohex-2-en-1-ylethyl)-9-cyclopentylpurin-6-amine

C18H25N5 — CID 44591064

IUPACN-(2-cyclohex-2-en-1-ylethyl)-9-cyclopentylpurin-6-amine
SMILESC1=CC(CCNc2ncnc3c2ncn3C2CCCC2)CCC1
InChIInChI=1S/C18H25N5/c1-2-6-14(7-3-1)10-11-19-17-16-18(21-12-20-17)23(13-22-16)15-8-4-5-9-15/h2,6,12-15H,1,3-5,7-11H2,(H,19,20,21)
InChIKeyXKQZIDUMNPRXIG-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.10
Rot. Bonds5

About N-(2-cyclohex-2-en-1-ylethyl)-9-cyclopentylpurin-6-amine

N-(2-cyclohex-2-en-1-ylethyl)-9-cyclopentylpurin-6-amine (PubChem CID 44591064) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-(2-cyclohex-2-en-1-ylethyl)-9-cyclopentylpurin-6-amine.

Molecular Properties

Compound NameN-(2-cyclohex-2-en-1-ylethyl)-9-cyclopentylpurin-6-amine
PubChem CID44591064
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC NameN-(2-cyclohex-2-en-1-ylethyl)-9-cyclopentylpurin-6-amine
SMILESC1=CC(CCNc2ncnc3c2ncn3C2CCCC2)CCC1
InChIInChI=1S/C18H25N5/c1-2-6-14(7-3-1)10-11-19-17-16-18(21-12-20-17)23(13-22-16)15-8-4-5-9-15/h2,6,12-15H,1,3-5,7-11H2,(H,19,20,21)
InChIKeyXKQZIDUMNPRXIG-UHFFFAOYSA-N
XLogP4.10
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

9-cyclopentyl-N-pentylpurin-6-amine
CID 142647479
9-cyclopropyl-N-(3-methylbutyl)purin-6-amine
CID 169041252
9-cyclopropyl-N-(1,2-thiazol-5-ylmethyl)purin-6-amine
CID 166246142
9-cyclopropyl-N-(2-quinolin-3-ylethyl)purin-6-amine
CID 146140725
[cyclopentyl-(9-cyclopentylpurin-6-yl)amino]methanol
CID 174369638
9-cyclopropyl-N-[(1-methylpyrazol-3-yl)methyl]purin-6-amine
CID 136544668
9-cyclopentyl-6-(3,3,3-trifluoropropyl)purine
CID 69254435
9-cyclopropyl-N-(2,6-dimethylphenyl)purin-6-amine
CID 163344743
9-[(1R)-cyclohex-2-en-1-yl]-N,N-dimethylpurin-6-amine
CID 124606574
2-cyclohex-2-en-1-yl-N-iodoethanamine
CID 89307928
(2R,3S,4R)-2-(hydroxymethyl)-5-[6-(oxan-2-ylmethylamino)purin-9-yl]oxolane-3,4-diol
CID 46876037
(2R,5R)-2-[6-[2-(2,5-dihydropyrrol-1-yl)ethylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 67923833

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohex-2-en-1-ylethyl)-9-cyclopentylpurin-6-amine?
The IUPAC name of N-(2-cyclohex-2-en-1-ylethyl)-9-cyclopentylpurin-6-amine (CID 44591064) is N-(2-cyclohex-2-en-1-ylethyl)-9-cyclopentylpurin-6-amine.
What is the SMILES notation for N-(2-cyclohex-2-en-1-ylethyl)-9-cyclopentylpurin-6-amine?
The canonical SMILES for N-(2-cyclohex-2-en-1-ylethyl)-9-cyclopentylpurin-6-amine is C1=CC(CCNc2ncnc3c2ncn3C2CCCC2)CCC1.
What is the InChIKey of N-(2-cyclohex-2-en-1-ylethyl)-9-cyclopentylpurin-6-amine?
The InChIKey is XKQZIDUMNPRXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5/c1-2-6-14(7-3-1)10-11-19-17-16-18(21-12-20-17)23(13-22-16)15-8-4-5-9-15/h2,6,12-15H,1,3-5,7-11H2,(H,19,20,21).
What are the key properties of N-(2-cyclohex-2-en-1-ylethyl)-9-cyclopentylpurin-6-amine?
N-(2-cyclohex-2-en-1-ylethyl)-9-cyclopentylpurin-6-amine has a molecular weight of 311.43 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohex-2-en-1-ylethyl)-9-cyclopentylpurin-6-amine is sourced from PubChem (CID 44591064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).