N'-(2-methylpropyl)-N'-(7H-purin-6-yl)ethane-1,2-diamine

C11H18N6 — CID 55091105

IUPACN'-(2-methylpropyl)-N'-(7H-purin-6-yl)ethane-1,2-diamine
SMILESCC(C)CN(CCN)c1ncnc2nc[nH]c12
InChIInChI=1S/C11H18N6/c1-8(2)5-17(4-3-12)11-9-10(14-6-13-9)15-7-16-11/h6-8H,3-5,12H2,1-2H3,(H,13,14,15,16)
InChIKeyBJAYAIKIYRICQL-UHFFFAOYSA-N
MW234.31 g/mol
LogP0.77
Rot. Bonds5

About N'-(2-methylpropyl)-N'-(7H-purin-6-yl)ethane-1,2-diamine

N'-(2-methylpropyl)-N'-(7H-purin-6-yl)ethane-1,2-diamine (PubChem CID 55091105) has the molecular formula C11H18N6 and a molecular weight of 234.31 g/mol. Its IUPAC name is N'-(2-methylpropyl)-N'-(7H-purin-6-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-methylpropyl)-N'-(7H-purin-6-yl)ethane-1,2-diamine
PubChem CID55091105
Molecular FormulaC11H18N6
Molecular Weight234.31 g/mol
Exact Mass234.16
IUPAC NameN'-(2-methylpropyl)-N'-(7H-purin-6-yl)ethane-1,2-diamine
SMILESCC(C)CN(CCN)c1ncnc2nc[nH]c12
InChIInChI=1S/C11H18N6/c1-8(2)5-17(4-3-12)11-9-10(14-6-13-9)15-7-16-11/h6-8H,3-5,12H2,1-2H3,(H,13,14,15,16)
InChIKeyBJAYAIKIYRICQL-UHFFFAOYSA-N
XLogP0.77
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N'-(2-methylpropyl)-N'-(7H-purin-6-yl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylpropyl)-N'-(7H-purin-6-yl)ethane-1,2-diamine?
The IUPAC name of N'-(2-methylpropyl)-N'-(7H-purin-6-yl)ethane-1,2-diamine (CID 55091105) is N'-(2-methylpropyl)-N'-(7H-purin-6-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-methylpropyl)-N'-(7H-purin-6-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-methylpropyl)-N'-(7H-purin-6-yl)ethane-1,2-diamine is CC(C)CN(CCN)c1ncnc2nc[nH]c12.
What is the InChIKey of N'-(2-methylpropyl)-N'-(7H-purin-6-yl)ethane-1,2-diamine?
The InChIKey is BJAYAIKIYRICQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6/c1-8(2)5-17(4-3-12)11-9-10(14-6-13-9)15-7-16-11/h6-8H,3-5,12H2,1-2H3,(H,13,14,15,16).
What are the key properties of N'-(2-methylpropyl)-N'-(7H-purin-6-yl)ethane-1,2-diamine?
N'-(2-methylpropyl)-N'-(7H-purin-6-yl)ethane-1,2-diamine has a molecular weight of 234.31 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylpropyl)-N'-(7H-purin-6-yl)ethane-1,2-diamine is sourced from PubChem (CID 55091105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).