3-[5-[(1R)-1-aminoethyl]imidazol-1-yl]-N,N-dimethylpropanamide

C10H18N4O — CID 104942518

IUPAC3-[5-[(1R)-1-aminoethyl]imidazol-1-yl]-N,N-dimethylpropanamide
SMILESC[C@@H](N)c1cncn1CCC(=O)N(C)C
InChIInChI=1S/C10H18N4O/c1-8(11)9-6-12-7-14(9)5-4-10(15)13(2)3/h6-8H,4-5,11H2,1-3H3/t8-/m1/s1
InChIKeyGLLRQMNVKWTFRX-MRVPVSSYSA-N
MW210.28 g/mol
LogP0.38
Rot. Bonds4

About 3-[5-[(1R)-1-aminoethyl]imidazol-1-yl]-N,N-dimethylpropanamide

3-[5-[(1R)-1-aminoethyl]imidazol-1-yl]-N,N-dimethylpropanamide (PubChem CID 104942518) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-[5-[(1R)-1-aminoethyl]imidazol-1-yl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[5-[(1R)-1-aminoethyl]imidazol-1-yl]-N,N-dimethylpropanamide
PubChem CID104942518
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name3-[5-[(1R)-1-aminoethyl]imidazol-1-yl]-N,N-dimethylpropanamide
SMILESC[C@@H](N)c1cncn1CCC(=O)N(C)C
InChIInChI=1S/C10H18N4O/c1-8(11)9-6-12-7-14(9)5-4-10(15)13(2)3/h6-8H,4-5,11H2,1-3H3/t8-/m1/s1
InChIKeyGLLRQMNVKWTFRX-MRVPVSSYSA-N
XLogP0.38
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[(1R)-1-aminoethyl]imidazol-1-yl]-N,N-dimethylpropanamide?
The IUPAC name of 3-[5-[(1R)-1-aminoethyl]imidazol-1-yl]-N,N-dimethylpropanamide (CID 104942518) is 3-[5-[(1R)-1-aminoethyl]imidazol-1-yl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[5-[(1R)-1-aminoethyl]imidazol-1-yl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[5-[(1R)-1-aminoethyl]imidazol-1-yl]-N,N-dimethylpropanamide is C[C@@H](N)c1cncn1CCC(=O)N(C)C.
What is the InChIKey of 3-[5-[(1R)-1-aminoethyl]imidazol-1-yl]-N,N-dimethylpropanamide?
The InChIKey is GLLRQMNVKWTFRX-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-8(11)9-6-12-7-14(9)5-4-10(15)13(2)3/h6-8H,4-5,11H2,1-3H3/t8-/m1/s1.
What are the key properties of 3-[5-[(1R)-1-aminoethyl]imidazol-1-yl]-N,N-dimethylpropanamide?
3-[5-[(1R)-1-aminoethyl]imidazol-1-yl]-N,N-dimethylpropanamide has a molecular weight of 210.28 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(1R)-1-aminoethyl]imidazol-1-yl]-N,N-dimethylpropanamide is sourced from PubChem (CID 104942518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).