N'-ethyl-2-methyl-N'-(7H-purin-6-yl)propane-1,3-diamine

C11H18N6 — CID 54987903

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

About N'-ethyl-2-methyl-N'-(7H-purin-6-yl)propane-1,3-diamine

N'-ethyl-2-methyl-N'-(7H-purin-6-yl)propane-1,3-diamine (PubChem CID 54987903) has the molecular formula C11H18N6 and a molecular weight of 234.31 g/mol. Its IUPAC name is N'-ethyl-2-methyl-N'-(7H-purin-6-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-2-methyl-N'-(7H-purin-6-yl)propane-1,3-diamine
PubChem CID54987903
Molecular FormulaC11H18N6
Molecular Weight234.31 g/mol
Exact Mass234.16
IUPAC NameN'-ethyl-2-methyl-N'-(7H-purin-6-yl)propane-1,3-diamine
SMILESCCN(CC(C)CN)c1ncnc2nc[nH]c12
InChIInChI=1S/C11H18N6/c1-3-17(5-8(2)4-12)11-9-10(14-6-13-9)15-7-16-11/h6-8H,3-5,12H2,1-2H3,(H,13,14,15,16)
InChIKeyDCDLUQNJGIRARM-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

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Related Compounds

N'-(2-methylpropyl)-N'-(7H-purin-6-yl)ethane-1,2-diamine
CID 55091105
4-[(3-amino-2-methylpropyl)-ethylamino]-5-iodo-1H-pyrimidin-6-one
CID 136972771
ethane;2-methylbutan-1-amine;7H-purin-6-amine
CID 144555996
4-[(3-amino-2-methylpropyl)-ethylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136972773
N'-methyl-N'-(7H-purin-6-yl)ethane-1,2-diamine
CID 62593872
N,N-bis(trimethylsilyl)-7H-purin-6-amine
CID 19910051
ethyl 2-[propyl(7H-purin-6-yl)amino]acetate
CID 62004761
N'-benzyl-N'-(7H-purin-6-yl)ethane-1,2-diamine
CID 61013592
N,N-bis(methylamino)-7H-purin-6-amine
CID 66676633
N-cyclohexyl-N-ethyl-7H-purin-6-amine
CID 2155059
2-methyl-N-(7H-purin-6-yl)butane-1,4-diamine
CID 66109410
N-methyl-N-(1-thiophen-3-ylpropan-2-yl)-7H-purin-6-amine
CID 84591411

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-2-methyl-N'-(7H-purin-6-yl)propane-1,3-diamine?
The IUPAC name of N'-ethyl-2-methyl-N'-(7H-purin-6-yl)propane-1,3-diamine (CID 54987903) is N'-ethyl-2-methyl-N'-(7H-purin-6-yl)propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-2-methyl-N'-(7H-purin-6-yl)propane-1,3-diamine?
The canonical SMILES for N'-ethyl-2-methyl-N'-(7H-purin-6-yl)propane-1,3-diamine is CCN(CC(C)CN)c1ncnc2nc[nH]c12.
What is the InChIKey of N'-ethyl-2-methyl-N'-(7H-purin-6-yl)propane-1,3-diamine?
The InChIKey is DCDLUQNJGIRARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6/c1-3-17(5-8(2)4-12)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'-ethyl-2-methyl-N'-(7H-purin-6-yl)propane-1,3-diamine?
N'-ethyl-2-methyl-N'-(7H-purin-6-yl)propane-1,3-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'-ethyl-2-methyl-N'-(7H-purin-6-yl)propane-1,3-diamine is sourced from PubChem (CID 54987903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).