4-pentan-2-yl-2-propan-2-ylimidazole-1,5-diamine

C11H22N4 — CID 62507108

IUPAC4-pentan-2-yl-2-propan-2-ylimidazole-1,5-diamine
SMILESCCCC(C)c1nc(C(C)C)n(N)c1N
InChIInChI=1S/C11H22N4/c1-5-6-8(4)9-10(12)15(13)11(14-9)7(2)3/h7-8H,5-6,12-13H2,1-4H3
InChIKeyXJJIMXDOOUEYHC-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.21
Rot. Bonds4

About 4-pentan-2-yl-2-propan-2-ylimidazole-1,5-diamine

4-pentan-2-yl-2-propan-2-ylimidazole-1,5-diamine (PubChem CID 62507108) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 4-pentan-2-yl-2-propan-2-ylimidazole-1,5-diamine.

Molecular Properties

Compound Name4-pentan-2-yl-2-propan-2-ylimidazole-1,5-diamine
PubChem CID62507108
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name4-pentan-2-yl-2-propan-2-ylimidazole-1,5-diamine
SMILESCCCC(C)c1nc(C(C)C)n(N)c1N
InChIInChI=1S/C11H22N4/c1-5-6-8(4)9-10(12)15(13)11(14-9)7(2)3/h7-8H,5-6,12-13H2,1-4H3
InChIKeyXJJIMXDOOUEYHC-UHFFFAOYSA-N
XLogP2.21
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-pentan-2-yl-2-propan-2-ylimidazole-1,5-diamine?
The IUPAC name of 4-pentan-2-yl-2-propan-2-ylimidazole-1,5-diamine (CID 62507108) is 4-pentan-2-yl-2-propan-2-ylimidazole-1,5-diamine.
What is the SMILES notation for 4-pentan-2-yl-2-propan-2-ylimidazole-1,5-diamine?
The canonical SMILES for 4-pentan-2-yl-2-propan-2-ylimidazole-1,5-diamine is CCCC(C)c1nc(C(C)C)n(N)c1N.
What is the InChIKey of 4-pentan-2-yl-2-propan-2-ylimidazole-1,5-diamine?
The InChIKey is XJJIMXDOOUEYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-5-6-8(4)9-10(12)15(13)11(14-9)7(2)3/h7-8H,5-6,12-13H2,1-4H3.
What are the key properties of 4-pentan-2-yl-2-propan-2-ylimidazole-1,5-diamine?
4-pentan-2-yl-2-propan-2-ylimidazole-1,5-diamine has a molecular weight of 210.32 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentan-2-yl-2-propan-2-ylimidazole-1,5-diamine is sourced from PubChem (CID 62507108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).