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

C11H15N5 — CID 658219

IUPACN-cyclohexyl-7H-purin-6-amine
SMILESc1nc(NC2CCCCC2)c2[nH]cnc2n1
InChIInChI=1S/C11H15N5/c1-2-4-8(5-3-1)16-11-9-10(13-6-12-9)14-7-15-11/h6-8H,1-5H2,(H2,12,13,14,15,16)
InChIKeyYEWYVRQMZKOENB-UHFFFAOYSA-N
MW217.28 g/mol
LogP2.10
Rot. Bonds2

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

N-cyclohexyl-7H-purin-6-amine (PubChem CID 658219) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is N-cyclohexyl-7H-purin-6-amine.

Molecular Properties

Compound NameN-cyclohexyl-7H-purin-6-amine
PubChem CID658219
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC NameN-cyclohexyl-7H-purin-6-amine
SMILESc1nc(NC2CCCCC2)c2[nH]cnc2n1
InChIInChI=1S/C11H15N5/c1-2-4-8(5-3-1)16-11-9-10(13-6-12-9)14-7-15-11/h6-8H,1-5H2,(H2,12,13,14,15,16)
InChIKeyYEWYVRQMZKOENB-UHFFFAOYSA-N
XLogP2.10
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-7H-purin-6-amine?
The IUPAC name of N-cyclohexyl-7H-purin-6-amine (CID 658219) is N-cyclohexyl-7H-purin-6-amine.
What is the SMILES notation for N-cyclohexyl-7H-purin-6-amine?
The canonical SMILES for N-cyclohexyl-7H-purin-6-amine is c1nc(NC2CCCCC2)c2[nH]cnc2n1.
What is the InChIKey of N-cyclohexyl-7H-purin-6-amine?
The InChIKey is YEWYVRQMZKOENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-2-4-8(5-3-1)16-11-9-10(13-6-12-9)14-7-15-11/h6-8H,1-5H2,(H2,12,13,14,15,16).
What are the key properties of N-cyclohexyl-7H-purin-6-amine?
N-cyclohexyl-7H-purin-6-amine has a molecular weight of 217.28 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-7H-purin-6-amine is sourced from PubChem (CID 658219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).