9-(cyclohexylmethyl)-N,N-dimethylpurin-6-amine

C14H21N5 — CID 14022439

IUPAC9-(cyclohexylmethyl)-N,N-dimethylpurin-6-amine
SMILESCN(C)c1ncnc2c1ncn2CC1CCCCC1
InChIInChI=1S/C14H21N5/c1-18(2)13-12-14(16-9-15-13)19(10-17-12)8-11-6-4-3-5-7-11/h9-11H,3-8H2,1-2H3
InChIKeyLKMWIEDHHUBPDY-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.47
Rot. Bonds3

About 9-(cyclohexylmethyl)-N,N-dimethylpurin-6-amine

9-(cyclohexylmethyl)-N,N-dimethylpurin-6-amine (PubChem CID 14022439) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 9-(cyclohexylmethyl)-N,N-dimethylpurin-6-amine.

Molecular Properties

Compound Name9-(cyclohexylmethyl)-N,N-dimethylpurin-6-amine
PubChem CID14022439
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name9-(cyclohexylmethyl)-N,N-dimethylpurin-6-amine
SMILESCN(C)c1ncnc2c1ncn2CC1CCCCC1
InChIInChI=1S/C14H21N5/c1-18(2)13-12-14(16-9-15-13)19(10-17-12)8-11-6-4-3-5-7-11/h9-11H,3-8H2,1-2H3
InChIKeyLKMWIEDHHUBPDY-UHFFFAOYSA-N
XLogP2.47
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-(cyclohexylmethyl)-N,N-dimethylpurin-6-amine 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 9-(cyclohexylmethyl)-N,N-dimethylpurin-6-amine?
The IUPAC name of 9-(cyclohexylmethyl)-N,N-dimethylpurin-6-amine (CID 14022439) is 9-(cyclohexylmethyl)-N,N-dimethylpurin-6-amine.
What is the SMILES notation for 9-(cyclohexylmethyl)-N,N-dimethylpurin-6-amine?
The canonical SMILES for 9-(cyclohexylmethyl)-N,N-dimethylpurin-6-amine is CN(C)c1ncnc2c1ncn2CC1CCCCC1.
What is the InChIKey of 9-(cyclohexylmethyl)-N,N-dimethylpurin-6-amine?
The InChIKey is LKMWIEDHHUBPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-18(2)13-12-14(16-9-15-13)19(10-17-12)8-11-6-4-3-5-7-11/h9-11H,3-8H2,1-2H3.
What are the key properties of 9-(cyclohexylmethyl)-N,N-dimethylpurin-6-amine?
9-(cyclohexylmethyl)-N,N-dimethylpurin-6-amine has a molecular weight of 259.36 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclohexylmethyl)-N,N-dimethylpurin-6-amine is sourced from PubChem (CID 14022439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).