(5R)-5-butyl-1-(2,2-dimethylpropyl)-4,5-dihydroimidazol-2-amine

C12H25N3 — CID 23640880

IUPAC(5R)-5-butyl-1-(2,2-dimethylpropyl)-4,5-dihydroimidazol-2-amine
SMILESCCCC[C@@H]1CN=C(N)N1CC(C)(C)C
InChIInChI=1S/C12H25N3/c1-5-6-7-10-8-14-11(13)15(10)9-12(2,3)4/h10H,5-9H2,1-4H3,(H2,13,14)/t10-/m1/s1
InChIKeyOQJKPFPIPRTDST-SNVBAGLBSA-N
MW211.35 g/mol
LogP2.22
Rot. Bonds4

About (5R)-5-butyl-1-(2,2-dimethylpropyl)-4,5-dihydroimidazol-2-amine

(5R)-5-butyl-1-(2,2-dimethylpropyl)-4,5-dihydroimidazol-2-amine (PubChem CID 23640880) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is (5R)-5-butyl-1-(2,2-dimethylpropyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name(5R)-5-butyl-1-(2,2-dimethylpropyl)-4,5-dihydroimidazol-2-amine
PubChem CID23640880
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name(5R)-5-butyl-1-(2,2-dimethylpropyl)-4,5-dihydroimidazol-2-amine
SMILESCCCC[C@@H]1CN=C(N)N1CC(C)(C)C
InChIInChI=1S/C12H25N3/c1-5-6-7-10-8-14-11(13)15(10)9-12(2,3)4/h10H,5-9H2,1-4H3,(H2,13,14)/t10-/m1/s1
InChIKeyOQJKPFPIPRTDST-SNVBAGLBSA-N
XLogP2.22
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-butyl-1-(2,2-dimethylpropyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of (5R)-5-butyl-1-(2,2-dimethylpropyl)-4,5-dihydroimidazol-2-amine (CID 23640880) is (5R)-5-butyl-1-(2,2-dimethylpropyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for (5R)-5-butyl-1-(2,2-dimethylpropyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for (5R)-5-butyl-1-(2,2-dimethylpropyl)-4,5-dihydroimidazol-2-amine is CCCC[C@@H]1CN=C(N)N1CC(C)(C)C.
What is the InChIKey of (5R)-5-butyl-1-(2,2-dimethylpropyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is OQJKPFPIPRTDST-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H25N3/c1-5-6-7-10-8-14-11(13)15(10)9-12(2,3)4/h10H,5-9H2,1-4H3,(H2,13,14)/t10-/m1/s1.
What are the key properties of (5R)-5-butyl-1-(2,2-dimethylpropyl)-4,5-dihydroimidazol-2-amine?
(5R)-5-butyl-1-(2,2-dimethylpropyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 211.35 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-butyl-1-(2,2-dimethylpropyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 23640880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).