N-cycloheptyl-7H-purin-6-amine

C12H17N5 — CID 2155049

IUPACN-cycloheptyl-7H-purin-6-amine
SMILESc1nc(NC2CCCCCC2)c2[nH]cnc2n1
InChIInChI=1S/C12H17N5/c1-2-4-6-9(5-3-1)17-12-10-11(14-7-13-10)15-8-16-12/h7-9H,1-6H2,(H2,13,14,15,16,17)
InChIKeyHWFPCEOCXDTMFC-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.49
Rot. Bonds2

About N-cycloheptyl-7H-purin-6-amine

N-cycloheptyl-7H-purin-6-amine (PubChem CID 2155049) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-cycloheptyl-7H-purin-6-amine.

Molecular Properties

Compound NameN-cycloheptyl-7H-purin-6-amine
PubChem CID2155049
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC NameN-cycloheptyl-7H-purin-6-amine
SMILESc1nc(NC2CCCCCC2)c2[nH]cnc2n1
InChIInChI=1S/C12H17N5/c1-2-4-6-9(5-3-1)17-12-10-11(14-7-13-10)15-8-16-12/h7-9H,1-6H2,(H2,13,14,15,16,17)
InChIKeyHWFPCEOCXDTMFC-UHFFFAOYSA-N
XLogP2.49
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-7H-purin-6-amine?
The IUPAC name of N-cycloheptyl-7H-purin-6-amine (CID 2155049) is N-cycloheptyl-7H-purin-6-amine.
What is the SMILES notation for N-cycloheptyl-7H-purin-6-amine?
The canonical SMILES for N-cycloheptyl-7H-purin-6-amine is c1nc(NC2CCCCCC2)c2[nH]cnc2n1.
What is the InChIKey of N-cycloheptyl-7H-purin-6-amine?
The InChIKey is HWFPCEOCXDTMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-2-4-6-9(5-3-1)17-12-10-11(14-7-13-10)15-8-16-12/h7-9H,1-6H2,(H2,13,14,15,16,17).
What are the key properties of N-cycloheptyl-7H-purin-6-amine?
N-cycloheptyl-7H-purin-6-amine has a molecular weight of 231.30 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-7H-purin-6-amine is sourced from PubChem (CID 2155049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).