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

C11H20N4O — CID 104942516

IUPAC3-[5-[(1R)-1-aminopropyl]imidazol-1-yl]-N,N-dimethylpropanamide
SMILESCC[C@@H](N)c1cncn1CCC(=O)N(C)C
InChIInChI=1S/C11H20N4O/c1-4-9(12)10-7-13-8-15(10)6-5-11(16)14(2)3/h7-9H,4-6,12H2,1-3H3/t9-/m1/s1
InChIKeyYJYWROFQSWDFMS-SECBINFHSA-N
MW224.31 g/mol
LogP0.77
Rot. Bonds5

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

3-[5-[(1R)-1-aminopropyl]imidazol-1-yl]-N,N-dimethylpropanamide (PubChem CID 104942516) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 3-[5-[(1R)-1-aminopropyl]imidazol-1-yl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[5-[(1R)-1-aminopropyl]imidazol-1-yl]-N,N-dimethylpropanamide
PubChem CID104942516
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name3-[5-[(1R)-1-aminopropyl]imidazol-1-yl]-N,N-dimethylpropanamide
SMILESCC[C@@H](N)c1cncn1CCC(=O)N(C)C
InChIInChI=1S/C11H20N4O/c1-4-9(12)10-7-13-8-15(10)6-5-11(16)14(2)3/h7-9H,4-6,12H2,1-3H3/t9-/m1/s1
InChIKeyYJYWROFQSWDFMS-SECBINFHSA-N
XLogP0.77
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.77
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-aminopropyl]imidazol-1-yl]-N,N-dimethylpropanamide?
The IUPAC name of 3-[5-[(1R)-1-aminopropyl]imidazol-1-yl]-N,N-dimethylpropanamide (CID 104942516) is 3-[5-[(1R)-1-aminopropyl]imidazol-1-yl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[5-[(1R)-1-aminopropyl]imidazol-1-yl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[5-[(1R)-1-aminopropyl]imidazol-1-yl]-N,N-dimethylpropanamide is CC[C@@H](N)c1cncn1CCC(=O)N(C)C.
What is the InChIKey of 3-[5-[(1R)-1-aminopropyl]imidazol-1-yl]-N,N-dimethylpropanamide?
The InChIKey is YJYWROFQSWDFMS-SECBINFHSA-N. The full InChI is InChI=1S/C11H20N4O/c1-4-9(12)10-7-13-8-15(10)6-5-11(16)14(2)3/h7-9H,4-6,12H2,1-3H3/t9-/m1/s1.
What are the key properties of 3-[5-[(1R)-1-aminopropyl]imidazol-1-yl]-N,N-dimethylpropanamide?
3-[5-[(1R)-1-aminopropyl]imidazol-1-yl]-N,N-dimethylpropanamide has a molecular weight of 224.31 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(1R)-1-aminopropyl]imidazol-1-yl]-N,N-dimethylpropanamide is sourced from PubChem (CID 104942516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).