formic acid;(2R)-1-[1-[(2-methylpropan-2-yl)oxymethyl]imidazol-4-yl]propan-2-amine

C12H23N3O3 — CID 142605021

IUPACformic acid;(2R)-1-[1-[(2-methylpropan-2-yl)oxymethyl]imidazol-4-yl]propan-2-amine
SMILESC[C@@H](N)Cc1cn(COC(C)(C)C)cn1.O=CO
InChIInChI=1S/C11H21N3O.CH2O2/c1-9(12)5-10-6-14(7-13-10)8-15-11(2,3)4;2-1-3/h6-7,9H,5,8,12H2,1-4H3;1H,(H,2,3)/t9-;/m1./s1
InChIKeyPUOHSPUZYOLSSW-SBSPUUFOSA-N
MW257.33 g/mol
LogP1.25
Rot. Bonds4

About formic acid;(2R)-1-[1-[(2-methylpropan-2-yl)oxymethyl]imidazol-4-yl]propan-2-amine

formic acid;(2R)-1-[1-[(2-methylpropan-2-yl)oxymethyl]imidazol-4-yl]propan-2-amine (PubChem CID 142605021) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is formic acid;(2R)-1-[1-[(2-methylpropan-2-yl)oxymethyl]imidazol-4-yl]propan-2-amine.

Molecular Properties

Compound Nameformic acid;(2R)-1-[1-[(2-methylpropan-2-yl)oxymethyl]imidazol-4-yl]propan-2-amine
PubChem CID142605021
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Nameformic acid;(2R)-1-[1-[(2-methylpropan-2-yl)oxymethyl]imidazol-4-yl]propan-2-amine
SMILESC[C@@H](N)Cc1cn(COC(C)(C)C)cn1.O=CO
InChIInChI=1S/C11H21N3O.CH2O2/c1-9(12)5-10-6-14(7-13-10)8-15-11(2,3)4;2-1-3/h6-7,9H,5,8,12H2,1-4H3;1H,(H,2,3)/t9-;/m1./s1
InChIKeyPUOHSPUZYOLSSW-SBSPUUFOSA-N
XLogP1.25
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-[1-[[4-(2-aminopropyl)imidazol-1-yl]methyl]imidazol-4-yl]propan-2-amine
CID 59827554
1-[1-(2-methylsulfonylethyl)imidazol-4-yl]propan-2-amine
CID 106721170
[4-[(2R)-2-aminopropyl]imidazole-1-carbonyl] 4-[(2R)-2-aminopropyl]imidazole-1-carboxylate
CID 123728751
1-[1-(4,4,4-trifluorobutyl)imidazol-4-yl]propan-2-amine
CID 106721010
1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]propan-2-amine
CID 106721198
1-(1-octylimidazol-4-yl)propan-2-amine
CID 106721019
1-[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-4-yl]propan-2-amine
CID 106721209
1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine
CID 106721079
1-[1-(2-phenoxyethyl)imidazol-4-yl]propan-2-amine
CID 106721144
4-[4-(2-aminopropyl)imidazol-1-yl]butanenitrile
CID 106721187
1-[1-[(4-bromophenyl)methyl]imidazol-4-yl]propan-2-amine
CID 106721026
1-[1-(1,3-thiazol-2-ylmethyl)imidazol-4-yl]propan-2-amine
CID 106721122

Frequently Asked Questions

What is the IUPAC name of formic acid;(2R)-1-[1-[(2-methylpropan-2-yl)oxymethyl]imidazol-4-yl]propan-2-amine?
The IUPAC name of formic acid;(2R)-1-[1-[(2-methylpropan-2-yl)oxymethyl]imidazol-4-yl]propan-2-amine (CID 142605021) is formic acid;(2R)-1-[1-[(2-methylpropan-2-yl)oxymethyl]imidazol-4-yl]propan-2-amine.
What is the SMILES notation for formic acid;(2R)-1-[1-[(2-methylpropan-2-yl)oxymethyl]imidazol-4-yl]propan-2-amine?
The canonical SMILES for formic acid;(2R)-1-[1-[(2-methylpropan-2-yl)oxymethyl]imidazol-4-yl]propan-2-amine is C[C@@H](N)Cc1cn(COC(C)(C)C)cn1.O=CO.
What is the InChIKey of formic acid;(2R)-1-[1-[(2-methylpropan-2-yl)oxymethyl]imidazol-4-yl]propan-2-amine?
The InChIKey is PUOHSPUZYOLSSW-SBSPUUFOSA-N. The full InChI is InChI=1S/C11H21N3O.CH2O2/c1-9(12)5-10-6-14(7-13-10)8-15-11(2,3)4;2-1-3/h6-7,9H,5,8,12H2,1-4H3;1H,(H,2,3)/t9-;/m1./s1.
What are the key properties of formic acid;(2R)-1-[1-[(2-methylpropan-2-yl)oxymethyl]imidazol-4-yl]propan-2-amine?
formic acid;(2R)-1-[1-[(2-methylpropan-2-yl)oxymethyl]imidazol-4-yl]propan-2-amine has a molecular weight of 257.33 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;(2R)-1-[1-[(2-methylpropan-2-yl)oxymethyl]imidazol-4-yl]propan-2-amine is sourced from PubChem (CID 142605021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).