6-(azocan-1-yl)-N-methyl-7H-purin-2-amine

C13H20N6 — CID 114783608

IUPAC6-(azocan-1-yl)-N-methyl-7H-purin-2-amine
SMILESCNc1nc(N2CCCCCCC2)c2[nH]cnc2n1
InChIInChI=1S/C13H20N6/c1-14-13-17-11-10(15-9-16-11)12(18-13)19-7-5-3-2-4-6-8-19/h9H,2-8H2,1H3,(H2,14,15,16,17,18)
InChIKeyLIAPQNREABUVMQ-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.17
Rot. Bonds2

About 6-(azocan-1-yl)-N-methyl-7H-purin-2-amine

6-(azocan-1-yl)-N-methyl-7H-purin-2-amine (PubChem CID 114783608) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is 6-(azocan-1-yl)-N-methyl-7H-purin-2-amine.

Molecular Properties

Compound Name6-(azocan-1-yl)-N-methyl-7H-purin-2-amine
PubChem CID114783608
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC Name6-(azocan-1-yl)-N-methyl-7H-purin-2-amine
SMILESCNc1nc(N2CCCCCCC2)c2[nH]cnc2n1
InChIInChI=1S/C13H20N6/c1-14-13-17-11-10(15-9-16-11)12(18-13)19-7-5-3-2-4-6-8-19/h9H,2-8H2,1H3,(H2,14,15,16,17,18)
InChIKeyLIAPQNREABUVMQ-UHFFFAOYSA-N
XLogP2.17
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(azocan-1-yl)-N-methyl-7H-purin-2-amine?
The IUPAC name of 6-(azocan-1-yl)-N-methyl-7H-purin-2-amine (CID 114783608) is 6-(azocan-1-yl)-N-methyl-7H-purin-2-amine.
What is the SMILES notation for 6-(azocan-1-yl)-N-methyl-7H-purin-2-amine?
The canonical SMILES for 6-(azocan-1-yl)-N-methyl-7H-purin-2-amine is CNc1nc(N2CCCCCCC2)c2[nH]cnc2n1.
What is the InChIKey of 6-(azocan-1-yl)-N-methyl-7H-purin-2-amine?
The InChIKey is LIAPQNREABUVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-14-13-17-11-10(15-9-16-11)12(18-13)19-7-5-3-2-4-6-8-19/h9H,2-8H2,1H3,(H2,14,15,16,17,18).
What are the key properties of 6-(azocan-1-yl)-N-methyl-7H-purin-2-amine?
6-(azocan-1-yl)-N-methyl-7H-purin-2-amine has a molecular weight of 260.34 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azocan-1-yl)-N-methyl-7H-purin-2-amine is sourced from PubChem (CID 114783608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).