6-(7H-purin-8-yl)hexan-1-amine

C11H17N5 — CID 114402076

IUPAC6-(7H-purin-8-yl)hexan-1-amine
SMILESNCCCCCCc1nc2ncncc2[nH]1
InChIInChI=1S/C11H17N5/c12-6-4-2-1-3-5-10-15-9-7-13-8-14-11(9)16-10/h7-8H,1-6,12H2,(H,13,14,15,16)
InChIKeyDTLHABBVLCRCAZ-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.41
Rot. Bonds6

About 6-(7H-purin-8-yl)hexan-1-amine

6-(7H-purin-8-yl)hexan-1-amine (PubChem CID 114402076) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 6-(7H-purin-8-yl)hexan-1-amine.

Molecular Properties

Compound Name6-(7H-purin-8-yl)hexan-1-amine
PubChem CID114402076
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name6-(7H-purin-8-yl)hexan-1-amine
SMILESNCCCCCCc1nc2ncncc2[nH]1
InChIInChI=1S/C11H17N5/c12-6-4-2-1-3-5-10-15-9-7-13-8-14-11(9)16-10/h7-8H,1-6,12H2,(H,13,14,15,16)
InChIKeyDTLHABBVLCRCAZ-UHFFFAOYSA-N
XLogP1.41
TPSA80.48 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 ≤ 51.41
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 6-(7H-purin-8-yl)hexan-1-amine?
The IUPAC name of 6-(7H-purin-8-yl)hexan-1-amine (CID 114402076) is 6-(7H-purin-8-yl)hexan-1-amine.
What is the SMILES notation for 6-(7H-purin-8-yl)hexan-1-amine?
The canonical SMILES for 6-(7H-purin-8-yl)hexan-1-amine is NCCCCCCc1nc2ncncc2[nH]1.
What is the InChIKey of 6-(7H-purin-8-yl)hexan-1-amine?
The InChIKey is DTLHABBVLCRCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c12-6-4-2-1-3-5-10-15-9-7-13-8-14-11(9)16-10/h7-8H,1-6,12H2,(H,13,14,15,16).
What are the key properties of 6-(7H-purin-8-yl)hexan-1-amine?
6-(7H-purin-8-yl)hexan-1-amine has a molecular weight of 219.29 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7H-purin-8-yl)hexan-1-amine is sourced from PubChem (CID 114402076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).