3-(cyclohexylmethyl)-N-ethyl-7H-purin-6-imine

C14H21N5 — CID 135592801

IUPAC3-(cyclohexylmethyl)-N-ethyl-7H-purin-6-imine
SMILESCC/N=c1\ncn(CC2CCCCC2)c2nc[nH]c12
InChIInChI=1S/C14H21N5/c1-2-15-13-12-14(17-9-16-12)19(10-18-13)8-11-6-4-3-5-7-11/h9-11H,2-8H2,1H3,(H,16,17)/b15-13-
InChIKeyOJDCGCGRUXFUPB-SQFISAMPSA-N
MW259.36 g/mol
LogP2.26
Rot. Bonds3

About 3-(cyclohexylmethyl)-N-ethyl-7H-purin-6-imine

3-(cyclohexylmethyl)-N-ethyl-7H-purin-6-imine (PubChem CID 135592801) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)-N-ethyl-7H-purin-6-imine.

Molecular Properties

Compound Name3-(cyclohexylmethyl)-N-ethyl-7H-purin-6-imine
PubChem CID135592801
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name3-(cyclohexylmethyl)-N-ethyl-7H-purin-6-imine
SMILESCC/N=c1\ncn(CC2CCCCC2)c2nc[nH]c12
InChIInChI=1S/C14H21N5/c1-2-15-13-12-14(17-9-16-12)19(10-18-13)8-11-6-4-3-5-7-11/h9-11H,2-8H2,1H3,(H,16,17)/b15-13-
InChIKeyOJDCGCGRUXFUPB-SQFISAMPSA-N
XLogP2.26
TPSA58.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(cyclohexylmethyl)-N-ethyl-7H-purin-6-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethyl)-N-ethyl-7H-purin-6-imine?
The IUPAC name of 3-(cyclohexylmethyl)-N-ethyl-7H-purin-6-imine (CID 135592801) is 3-(cyclohexylmethyl)-N-ethyl-7H-purin-6-imine.
What is the SMILES notation for 3-(cyclohexylmethyl)-N-ethyl-7H-purin-6-imine?
The canonical SMILES for 3-(cyclohexylmethyl)-N-ethyl-7H-purin-6-imine is CC/N=c1\ncn(CC2CCCCC2)c2nc[nH]c12.
What is the InChIKey of 3-(cyclohexylmethyl)-N-ethyl-7H-purin-6-imine?
The InChIKey is OJDCGCGRUXFUPB-SQFISAMPSA-N. The full InChI is InChI=1S/C14H21N5/c1-2-15-13-12-14(17-9-16-12)19(10-18-13)8-11-6-4-3-5-7-11/h9-11H,2-8H2,1H3,(H,16,17)/b15-13-.
What are the key properties of 3-(cyclohexylmethyl)-N-ethyl-7H-purin-6-imine?
3-(cyclohexylmethyl)-N-ethyl-7H-purin-6-imine has a molecular weight of 259.36 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethyl)-N-ethyl-7H-purin-6-imine is sourced from PubChem (CID 135592801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).