2,5-bis(2-methylpropyl)-1H-imidazol-4-amine

C11H21N3 — CID 592384

IUPAC2,5-bis(2-methylpropyl)-1H-imidazol-4-amine
SMILESCC(C)Cc1nc(N)c(CC(C)C)[nH]1
InChIInChI=1S/C11H21N3/c1-7(2)5-9-11(12)14-10(13-9)6-8(3)4/h7-8H,5-6,12H2,1-4H3,(H,13,14)
InChIKeyJIEDXHUTHDSZOJ-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.39
Rot. Bonds4

About 2,5-bis(2-methylpropyl)-1H-imidazol-4-amine

2,5-bis(2-methylpropyl)-1H-imidazol-4-amine (PubChem CID 592384) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 2,5-bis(2-methylpropyl)-1H-imidazol-4-amine.

Molecular Properties

Compound Name2,5-bis(2-methylpropyl)-1H-imidazol-4-amine
PubChem CID592384
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name2,5-bis(2-methylpropyl)-1H-imidazol-4-amine
SMILESCC(C)Cc1nc(N)c(CC(C)C)[nH]1
InChIInChI=1S/C11H21N3/c1-7(2)5-9-11(12)14-10(13-9)6-8(3)4/h7-8H,5-6,12H2,1-4H3,(H,13,14)
InChIKeyJIEDXHUTHDSZOJ-UHFFFAOYSA-N
XLogP2.39
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(2-methylpropyl)-1H-imidazol-4-amine?
The IUPAC name of 2,5-bis(2-methylpropyl)-1H-imidazol-4-amine (CID 592384) is 2,5-bis(2-methylpropyl)-1H-imidazol-4-amine.
What is the SMILES notation for 2,5-bis(2-methylpropyl)-1H-imidazol-4-amine?
The canonical SMILES for 2,5-bis(2-methylpropyl)-1H-imidazol-4-amine is CC(C)Cc1nc(N)c(CC(C)C)[nH]1.
What is the InChIKey of 2,5-bis(2-methylpropyl)-1H-imidazol-4-amine?
The InChIKey is JIEDXHUTHDSZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-7(2)5-9-11(12)14-10(13-9)6-8(3)4/h7-8H,5-6,12H2,1-4H3,(H,13,14).
What are the key properties of 2,5-bis(2-methylpropyl)-1H-imidazol-4-amine?
2,5-bis(2-methylpropyl)-1H-imidazol-4-amine has a molecular weight of 195.31 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(2-methylpropyl)-1H-imidazol-4-amine is sourced from PubChem (CID 592384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).