1-pentan-2-yl-N-propan-2-ylimidazol-2-amine

C11H21N3 — CID 106555812

IUPAC1-pentan-2-yl-N-propan-2-ylimidazol-2-amine
SMILESCCCC(C)n1ccnc1NC(C)C
InChIInChI=1S/C11H21N3/c1-5-6-10(4)14-8-7-12-11(14)13-9(2)3/h7-10H,5-6H2,1-4H3,(H,12,13)
InChIKeyZGRVKRLMGLISNM-UHFFFAOYSA-N
MW195.31 g/mol
LogP3.06
Rot. Bonds5

About 1-pentan-2-yl-N-propan-2-ylimidazol-2-amine

1-pentan-2-yl-N-propan-2-ylimidazol-2-amine (PubChem CID 106555812) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-pentan-2-yl-N-propan-2-ylimidazol-2-amine.

Molecular Properties

Compound Name1-pentan-2-yl-N-propan-2-ylimidazol-2-amine
PubChem CID106555812
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name1-pentan-2-yl-N-propan-2-ylimidazol-2-amine
SMILESCCCC(C)n1ccnc1NC(C)C
InChIInChI=1S/C11H21N3/c1-5-6-10(4)14-8-7-12-11(14)13-9(2)3/h7-10H,5-6H2,1-4H3,(H,12,13)
InChIKeyZGRVKRLMGLISNM-UHFFFAOYSA-N
XLogP3.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylhexan-2-yl)-N-propan-2-ylimidazol-2-amine
CID 106573986
N-(2-methylpropyl)-1-pentan-2-ylimidazol-2-amine
CID 106555846
N-methyl-1-octan-2-ylimidazol-2-amine
CID 106564926
1-pentan-2-yl-2-propan-2-ylimidazole
CID 122705417
1-(1-cyclobutylethyl)-N-propan-2-ylimidazol-2-amine
CID 106582705
1-pentyl-N-propan-2-ylimidazol-2-amine
CID 106556908
N,1-bis(1-methoxypropan-2-yl)imidazol-2-amine
CID 106556138
1-pentan-2-ylimidazole-2-carbothioamide
CID 107887304
1-(1-methylsulfanylpropan-2-yl)-N-propylimidazol-2-amine
CID 106581355
1-[4-(dimethylamino)butan-2-yl]-N-(2-methylpropyl)imidazol-2-amine
CID 106567764
N-butyl-1-(1-methylsulfanylpropan-2-yl)imidazol-2-amine
CID 106581318
1-[1-(2-fluorophenyl)ethyl]-N-propan-2-ylimidazol-2-amine
CID 106564573

Frequently Asked Questions

What is the IUPAC name of 1-pentan-2-yl-N-propan-2-ylimidazol-2-amine?
The IUPAC name of 1-pentan-2-yl-N-propan-2-ylimidazol-2-amine (CID 106555812) is 1-pentan-2-yl-N-propan-2-ylimidazol-2-amine.
What is the SMILES notation for 1-pentan-2-yl-N-propan-2-ylimidazol-2-amine?
The canonical SMILES for 1-pentan-2-yl-N-propan-2-ylimidazol-2-amine is CCCC(C)n1ccnc1NC(C)C.
What is the InChIKey of 1-pentan-2-yl-N-propan-2-ylimidazol-2-amine?
The InChIKey is ZGRVKRLMGLISNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-5-6-10(4)14-8-7-12-11(14)13-9(2)3/h7-10H,5-6H2,1-4H3,(H,12,13).
What are the key properties of 1-pentan-2-yl-N-propan-2-ylimidazol-2-amine?
1-pentan-2-yl-N-propan-2-ylimidazol-2-amine has a molecular weight of 195.31 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentan-2-yl-N-propan-2-ylimidazol-2-amine is sourced from PubChem (CID 106555812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).