2-cyclopropyl-3-methyl-5-pentan-3-ylimidazol-4-amine

C12H21N3 — CID 62220728

IUPAC2-cyclopropyl-3-methyl-5-pentan-3-ylimidazol-4-amine
SMILESCCC(CC)c1nc(C2CC2)n(C)c1N
InChIInChI=1S/C12H21N3/c1-4-8(5-2)10-11(13)15(3)12(14-10)9-6-7-9/h8-9H,4-7,13H2,1-3H3
InChIKeyNPCRQNITZOTJAY-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.78
Rot. Bonds4

About 2-cyclopropyl-3-methyl-5-pentan-3-ylimidazol-4-amine

2-cyclopropyl-3-methyl-5-pentan-3-ylimidazol-4-amine (PubChem CID 62220728) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-cyclopropyl-3-methyl-5-pentan-3-ylimidazol-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-3-methyl-5-pentan-3-ylimidazol-4-amine
PubChem CID62220728
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name2-cyclopropyl-3-methyl-5-pentan-3-ylimidazol-4-amine
SMILESCCC(CC)c1nc(C2CC2)n(C)c1N
InChIInChI=1S/C12H21N3/c1-4-8(5-2)10-11(13)15(3)12(14-10)9-6-7-9/h8-9H,4-7,13H2,1-3H3
InChIKeyNPCRQNITZOTJAY-UHFFFAOYSA-N
XLogP2.78
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-3-ethyl-5-pentan-3-ylimidazol-4-amine
CID 62220733
5-butan-2-yl-2-cyclopropyl-3-propylimidazol-4-amine
CID 62220557
2-cyclopentyl-5-ethyl-3-methylimidazol-4-amine
CID 62219518
2-cyclohexyl-5-propan-2-yl-3-propylimidazol-4-amine
CID 55048700
3-benzyl-5-butan-2-yl-2-cyclopropylimidazol-4-amine
CID 62218283
3-cyclopropyl-5-pentan-3-yl-2-phenylimidazol-4-amine
CID 62222087
2,3-dicyclopropyl-5-(1-methoxypropan-2-yl)imidazol-4-amine
CID 116502871
5-cyclopentyl-2-cyclopropyl-3-propylimidazol-4-amine
CID 55049023
2-cyclopropyl-5-ethyl-3-(2-methylpropyl)imidazol-4-amine
CID 62218612
5-amino-2-cyclopropyl-3-methylimidazole-4-carboxylic acid
CID 67824282
2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-1-amine
CID 114354437
2-cyclohexyl-3-cyclopropyl-5-pentan-2-ylimidazol-4-amine
CID 62222251

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-methyl-5-pentan-3-ylimidazol-4-amine?
The IUPAC name of 2-cyclopropyl-3-methyl-5-pentan-3-ylimidazol-4-amine (CID 62220728) is 2-cyclopropyl-3-methyl-5-pentan-3-ylimidazol-4-amine.
What is the SMILES notation for 2-cyclopropyl-3-methyl-5-pentan-3-ylimidazol-4-amine?
The canonical SMILES for 2-cyclopropyl-3-methyl-5-pentan-3-ylimidazol-4-amine is CCC(CC)c1nc(C2CC2)n(C)c1N.
What is the InChIKey of 2-cyclopropyl-3-methyl-5-pentan-3-ylimidazol-4-amine?
The InChIKey is NPCRQNITZOTJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-4-8(5-2)10-11(13)15(3)12(14-10)9-6-7-9/h8-9H,4-7,13H2,1-3H3.
What are the key properties of 2-cyclopropyl-3-methyl-5-pentan-3-ylimidazol-4-amine?
2-cyclopropyl-3-methyl-5-pentan-3-ylimidazol-4-amine has a molecular weight of 207.32 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-methyl-5-pentan-3-ylimidazol-4-amine is sourced from PubChem (CID 62220728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).