N-(2-methylpropyl)-1-pentan-2-ylimidazol-2-amine

C12H23N3 — CID 106555846

IUPACN-(2-methylpropyl)-1-pentan-2-ylimidazol-2-amine
SMILESCCCC(C)n1ccnc1NCC(C)C
InChIInChI=1S/C12H23N3/c1-5-6-11(4)15-8-7-13-12(15)14-9-10(2)3/h7-8,10-11H,5-6,9H2,1-4H3,(H,13,14)
InChIKeyOFHVYYFUCIYMIA-UHFFFAOYSA-N
MW209.34 g/mol
LogP3.31
Rot. Bonds6

About N-(2-methylpropyl)-1-pentan-2-ylimidazol-2-amine

N-(2-methylpropyl)-1-pentan-2-ylimidazol-2-amine (PubChem CID 106555846) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N-(2-methylpropyl)-1-pentan-2-ylimidazol-2-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-1-pentan-2-ylimidazol-2-amine
PubChem CID106555846
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN-(2-methylpropyl)-1-pentan-2-ylimidazol-2-amine
SMILESCCCC(C)n1ccnc1NCC(C)C
InChIInChI=1S/C12H23N3/c1-5-6-11(4)15-8-7-13-12(15)14-9-10(2)3/h7-8,10-11H,5-6,9H2,1-4H3,(H,13,14)
InChIKeyOFHVYYFUCIYMIA-UHFFFAOYSA-N
XLogP3.31
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(dimethylamino)butan-2-yl]-N-(2-methylpropyl)imidazol-2-amine
CID 106567764
1-pentan-2-yl-N-propan-2-ylimidazol-2-amine
CID 106555812
N-(2-methylpropyl)-1-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-2-amine
CID 106567606
N-(2-methylpropyl)-1-(1-phenylpropan-2-yl)imidazol-2-amine
CID 106571877
N-methyl-1-octan-2-ylimidazol-2-amine
CID 106564926
1-pentan-2-yl-2-propan-2-ylimidazole
CID 122705417
1-(1-methylsulfanylpropan-2-yl)-N-propylimidazol-2-amine
CID 106581355
N-(2-ethoxypropyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106581219
N-(2-methylpropyl)-1-(2,2,3,3-tetramethylcyclopropyl)imidazol-2-amine
CID 106576766
1-[1-(dimethylamino)propan-2-yl]-N-ethylimidazol-2-amine
CID 106578657
N-butyl-1-(1-methylsulfanylpropan-2-yl)imidazol-2-amine
CID 106581318
1-[1-(diethylamino)propan-2-yl]-N-ethylimidazol-2-amine
CID 106566350

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-1-pentan-2-ylimidazol-2-amine?
The IUPAC name of N-(2-methylpropyl)-1-pentan-2-ylimidazol-2-amine (CID 106555846) is N-(2-methylpropyl)-1-pentan-2-ylimidazol-2-amine.
What is the SMILES notation for N-(2-methylpropyl)-1-pentan-2-ylimidazol-2-amine?
The canonical SMILES for N-(2-methylpropyl)-1-pentan-2-ylimidazol-2-amine is CCCC(C)n1ccnc1NCC(C)C.
What is the InChIKey of N-(2-methylpropyl)-1-pentan-2-ylimidazol-2-amine?
The InChIKey is OFHVYYFUCIYMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-5-6-11(4)15-8-7-13-12(15)14-9-10(2)3/h7-8,10-11H,5-6,9H2,1-4H3,(H,13,14).
What are the key properties of N-(2-methylpropyl)-1-pentan-2-ylimidazol-2-amine?
N-(2-methylpropyl)-1-pentan-2-ylimidazol-2-amine has a molecular weight of 209.34 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-1-pentan-2-ylimidazol-2-amine is sourced from PubChem (CID 106555846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).