5-cyclohexyl-5-methyl-1-propan-2-yl-4H-imidazol-2-amine

C13H25N3 — CID 79510561

IUPAC5-cyclohexyl-5-methyl-1-propan-2-yl-4H-imidazol-2-amine
SMILESCC(C)N1C(N)=NCC1(C)C1CCCCC1
InChIInChI=1S/C13H25N3/c1-10(2)16-12(14)15-9-13(16,3)11-7-5-4-6-8-11/h10-11H,4-9H2,1-3H3,(H2,14,15)
InChIKeyITMREADOULHUEL-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.36
Rot. Bonds2

About 5-cyclohexyl-5-methyl-1-propan-2-yl-4H-imidazol-2-amine

5-cyclohexyl-5-methyl-1-propan-2-yl-4H-imidazol-2-amine (PubChem CID 79510561) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 5-cyclohexyl-5-methyl-1-propan-2-yl-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-cyclohexyl-5-methyl-1-propan-2-yl-4H-imidazol-2-amine
PubChem CID79510561
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name5-cyclohexyl-5-methyl-1-propan-2-yl-4H-imidazol-2-amine
SMILESCC(C)N1C(N)=NCC1(C)C1CCCCC1
InChIInChI=1S/C13H25N3/c1-10(2)16-12(14)15-9-13(16,3)11-7-5-4-6-8-11/h10-11H,4-9H2,1-3H3,(H2,14,15)
InChIKeyITMREADOULHUEL-UHFFFAOYSA-N
XLogP2.36
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-5-methyl-1-propan-2-yl-4H-imidazol-2-amine?
The IUPAC name of 5-cyclohexyl-5-methyl-1-propan-2-yl-4H-imidazol-2-amine (CID 79510561) is 5-cyclohexyl-5-methyl-1-propan-2-yl-4H-imidazol-2-amine.
What is the SMILES notation for 5-cyclohexyl-5-methyl-1-propan-2-yl-4H-imidazol-2-amine?
The canonical SMILES for 5-cyclohexyl-5-methyl-1-propan-2-yl-4H-imidazol-2-amine is CC(C)N1C(N)=NCC1(C)C1CCCCC1.
What is the InChIKey of 5-cyclohexyl-5-methyl-1-propan-2-yl-4H-imidazol-2-amine?
The InChIKey is ITMREADOULHUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-10(2)16-12(14)15-9-13(16,3)11-7-5-4-6-8-11/h10-11H,4-9H2,1-3H3,(H2,14,15).
What are the key properties of 5-cyclohexyl-5-methyl-1-propan-2-yl-4H-imidazol-2-amine?
5-cyclohexyl-5-methyl-1-propan-2-yl-4H-imidazol-2-amine has a molecular weight of 223.36 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-5-methyl-1-propan-2-yl-4H-imidazol-2-amine is sourced from PubChem (CID 79510561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).