N-(3,3,5-trimethylcyclohexyl)-7H-purin-6-amine

C14H21N5 — CID 5064557

IUPACN-(3,3,5-trimethylcyclohexyl)-7H-purin-6-amine
SMILESCC1CC(Nc2ncnc3nc[nH]c23)CC(C)(C)C1
InChIInChI=1S/C14H21N5/c1-9-4-10(6-14(2,3)5-9)19-13-11-12(16-7-15-11)17-8-18-13/h7-10H,4-6H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyJLSWIJNKFKOJIG-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.98
Rot. Bonds2

About N-(3,3,5-trimethylcyclohexyl)-7H-purin-6-amine

N-(3,3,5-trimethylcyclohexyl)-7H-purin-6-amine (PubChem CID 5064557) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is N-(3,3,5-trimethylcyclohexyl)-7H-purin-6-amine.

Molecular Properties

Compound NameN-(3,3,5-trimethylcyclohexyl)-7H-purin-6-amine
PubChem CID5064557
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC NameN-(3,3,5-trimethylcyclohexyl)-7H-purin-6-amine
SMILESCC1CC(Nc2ncnc3nc[nH]c23)CC(C)(C)C1
InChIInChI=1S/C14H21N5/c1-9-4-10(6-14(2,3)5-9)19-13-11-12(16-7-15-11)17-8-18-13/h7-10H,4-6H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyJLSWIJNKFKOJIG-UHFFFAOYSA-N
XLogP2.98
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,5-trimethylcyclohexyl)-7H-purin-6-amine?
The IUPAC name of N-(3,3,5-trimethylcyclohexyl)-7H-purin-6-amine (CID 5064557) is N-(3,3,5-trimethylcyclohexyl)-7H-purin-6-amine.
What is the SMILES notation for N-(3,3,5-trimethylcyclohexyl)-7H-purin-6-amine?
The canonical SMILES for N-(3,3,5-trimethylcyclohexyl)-7H-purin-6-amine is CC1CC(Nc2ncnc3nc[nH]c23)CC(C)(C)C1.
What is the InChIKey of N-(3,3,5-trimethylcyclohexyl)-7H-purin-6-amine?
The InChIKey is JLSWIJNKFKOJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-9-4-10(6-14(2,3)5-9)19-13-11-12(16-7-15-11)17-8-18-13/h7-10H,4-6H2,1-3H3,(H2,15,16,17,18,19).
What are the key properties of N-(3,3,5-trimethylcyclohexyl)-7H-purin-6-amine?
N-(3,3,5-trimethylcyclohexyl)-7H-purin-6-amine has a molecular weight of 259.36 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,5-trimethylcyclohexyl)-7H-purin-6-amine is sourced from PubChem (CID 5064557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).