N-cyclohexyl-7H-purin-2-amine

C11H15N5 — CID 23734191

IUPACN-cyclohexyl-7H-purin-2-amine
SMILESc1nc2nc(NC3CCCCC3)ncc2[nH]1
InChIInChI=1S/C11H15N5/c1-2-4-8(5-3-1)15-11-12-6-9-10(16-11)14-7-13-9/h6-8H,1-5H2,(H2,12,13,14,15,16)
InChIKeyKPRDQXYAVDJJOC-UHFFFAOYSA-N
MW217.28 g/mol
LogP2.10
Rot. Bonds2

About N-cyclohexyl-7H-purin-2-amine

N-cyclohexyl-7H-purin-2-amine (PubChem CID 23734191) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is N-cyclohexyl-7H-purin-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-7H-purin-2-amine
PubChem CID23734191
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC NameN-cyclohexyl-7H-purin-2-amine
SMILESc1nc2nc(NC3CCCCC3)ncc2[nH]1
InChIInChI=1S/C11H15N5/c1-2-4-8(5-3-1)15-11-12-6-9-10(16-11)14-7-13-9/h6-8H,1-5H2,(H2,12,13,14,15,16)
InChIKeyKPRDQXYAVDJJOC-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-2-amine?
The IUPAC name of N-cyclohexyl-7H-purin-2-amine (CID 23734191) is N-cyclohexyl-7H-purin-2-amine.
What is the SMILES notation for N-cyclohexyl-7H-purin-2-amine?
The canonical SMILES for N-cyclohexyl-7H-purin-2-amine is c1nc2nc(NC3CCCCC3)ncc2[nH]1.
What is the InChIKey of N-cyclohexyl-7H-purin-2-amine?
The InChIKey is KPRDQXYAVDJJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-2-4-8(5-3-1)15-11-12-6-9-10(16-11)14-7-13-9/h6-8H,1-5H2,(H2,12,13,14,15,16).
What are the key properties of N-cyclohexyl-7H-purin-2-amine?
N-cyclohexyl-7H-purin-2-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-2-amine is sourced from PubChem (CID 23734191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).