N-hexyl-7H-purin-6-amine

C11H17N5 — CID 1870

IUPACN-hexyl-7H-purin-6-amine
SMILESCCCCCCNc1ncnc2nc[nH]c12
InChIInChI=1S/C11H17N5/c1-2-3-4-5-6-12-10-9-11(14-7-13-9)16-8-15-10/h7-8H,2-6H2,1H3,(H2,12,13,14,15,16)
InChIKeySSVCRPKUKBLUMH-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.35
Rot. Bonds6

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

N-hexyl-7H-purin-6-amine (PubChem CID 1870) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is N-hexyl-7H-purin-6-amine.

Molecular Properties

Compound NameN-hexyl-7H-purin-6-amine
PubChem CID1870
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC NameN-hexyl-7H-purin-6-amine
SMILESCCCCCCNc1ncnc2nc[nH]c12
InChIInChI=1S/C11H17N5/c1-2-3-4-5-6-12-10-9-11(14-7-13-9)16-8-15-10/h7-8H,2-6H2,1H3,(H2,12,13,14,15,16)
InChIKeySSVCRPKUKBLUMH-UHFFFAOYSA-N
XLogP2.35
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hexyl-7H-purin-6-amine?
The IUPAC name of N-hexyl-7H-purin-6-amine (CID 1870) is N-hexyl-7H-purin-6-amine.
What is the SMILES notation for N-hexyl-7H-purin-6-amine?
The canonical SMILES for N-hexyl-7H-purin-6-amine is CCCCCCNc1ncnc2nc[nH]c12.
What is the InChIKey of N-hexyl-7H-purin-6-amine?
The InChIKey is SSVCRPKUKBLUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-2-3-4-5-6-12-10-9-11(14-7-13-9)16-8-15-10/h7-8H,2-6H2,1H3,(H2,12,13,14,15,16).
What are the key properties of N-hexyl-7H-purin-6-amine?
N-hexyl-7H-purin-6-amine has a molecular weight of 219.29 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-7H-purin-6-amine is sourced from PubChem (CID 1870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).