N-(1-prop-2-enylpiperidin-4-yl)-7H-purin-6-amine

C13H18N6 — CID 133320076

IUPACN-(1-prop-2-enylpiperidin-4-yl)-7H-purin-6-amine
SMILESC=CCN1CCC(Nc2ncnc3nc[nH]c23)CC1
InChIInChI=1S/C13H18N6/c1-2-5-19-6-3-10(4-7-19)18-13-11-12(15-8-14-11)16-9-17-13/h2,8-10H,1,3-7H2,(H2,14,15,16,17,18)
InChIKeyZNBOTAIIYFXWNZ-UHFFFAOYSA-N
MW258.33 g/mol
LogP1.42
Rot. Bonds4

About N-(1-prop-2-enylpiperidin-4-yl)-7H-purin-6-amine

N-(1-prop-2-enylpiperidin-4-yl)-7H-purin-6-amine (PubChem CID 133320076) has the molecular formula C13H18N6 and a molecular weight of 258.33 g/mol. Its IUPAC name is N-(1-prop-2-enylpiperidin-4-yl)-7H-purin-6-amine.

Molecular Properties

Compound NameN-(1-prop-2-enylpiperidin-4-yl)-7H-purin-6-amine
PubChem CID133320076
Molecular FormulaC13H18N6
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC NameN-(1-prop-2-enylpiperidin-4-yl)-7H-purin-6-amine
SMILESC=CCN1CCC(Nc2ncnc3nc[nH]c23)CC1
InChIInChI=1S/C13H18N6/c1-2-5-19-6-3-10(4-7-19)18-13-11-12(15-8-14-11)16-9-17-13/h2,8-10H,1,3-7H2,(H2,14,15,16,17,18)
InChIKeyZNBOTAIIYFXWNZ-UHFFFAOYSA-N
XLogP1.42
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-prop-2-enylpiperidin-4-yl)-7H-purin-6-amine?
The IUPAC name of N-(1-prop-2-enylpiperidin-4-yl)-7H-purin-6-amine (CID 133320076) is N-(1-prop-2-enylpiperidin-4-yl)-7H-purin-6-amine.
What is the SMILES notation for N-(1-prop-2-enylpiperidin-4-yl)-7H-purin-6-amine?
The canonical SMILES for N-(1-prop-2-enylpiperidin-4-yl)-7H-purin-6-amine is C=CCN1CCC(Nc2ncnc3nc[nH]c23)CC1.
What is the InChIKey of N-(1-prop-2-enylpiperidin-4-yl)-7H-purin-6-amine?
The InChIKey is ZNBOTAIIYFXWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6/c1-2-5-19-6-3-10(4-7-19)18-13-11-12(15-8-14-11)16-9-17-13/h2,8-10H,1,3-7H2,(H2,14,15,16,17,18).
What are the key properties of N-(1-prop-2-enylpiperidin-4-yl)-7H-purin-6-amine?
N-(1-prop-2-enylpiperidin-4-yl)-7H-purin-6-amine has a molecular weight of 258.33 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-prop-2-enylpiperidin-4-yl)-7H-purin-6-amine is sourced from PubChem (CID 133320076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).