N-cyclohexyl-N-methyl-7H-purin-6-amine

C12H17N5 — CID 2155057

IUPACN-cyclohexyl-N-methyl-7H-purin-6-amine
SMILESCN(c1ncnc2nc[nH]c12)C1CCCCC1
InChIInChI=1S/C12H17N5/c1-17(9-5-3-2-4-6-9)12-10-11(14-7-13-10)15-8-16-12/h7-9H,2-6H2,1H3,(H,13,14,15,16)
InChIKeyOZPJIMVEOOWKCR-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.12
Rot. Bonds2

About N-cyclohexyl-N-methyl-7H-purin-6-amine

N-cyclohexyl-N-methyl-7H-purin-6-amine (PubChem CID 2155057) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-7H-purin-6-amine.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-7H-purin-6-amine
PubChem CID2155057
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC NameN-cyclohexyl-N-methyl-7H-purin-6-amine
SMILESCN(c1ncnc2nc[nH]c12)C1CCCCC1
InChIInChI=1S/C12H17N5/c1-17(9-5-3-2-4-6-9)12-10-11(14-7-13-10)15-8-16-12/h7-9H,2-6H2,1H3,(H,13,14,15,16)
InChIKeyOZPJIMVEOOWKCR-UHFFFAOYSA-N
XLogP2.12
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-7H-purin-6-amine?
The IUPAC name of N-cyclohexyl-N-methyl-7H-purin-6-amine (CID 2155057) is N-cyclohexyl-N-methyl-7H-purin-6-amine.
What is the SMILES notation for N-cyclohexyl-N-methyl-7H-purin-6-amine?
The canonical SMILES for N-cyclohexyl-N-methyl-7H-purin-6-amine is CN(c1ncnc2nc[nH]c12)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-7H-purin-6-amine?
The InChIKey is OZPJIMVEOOWKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-17(9-5-3-2-4-6-9)12-10-11(14-7-13-10)15-8-16-12/h7-9H,2-6H2,1H3,(H,13,14,15,16).
What are the key properties of N-cyclohexyl-N-methyl-7H-purin-6-amine?
N-cyclohexyl-N-methyl-7H-purin-6-amine has a molecular weight of 231.30 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-7H-purin-6-amine is sourced from PubChem (CID 2155057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).