2-[5-[(1S)-1-aminoethyl]imidazol-1-yl]-N-propan-2-ylpropanamide

C11H20N4O — CID 104943573

IUPAC2-[5-[(1S)-1-aminoethyl]imidazol-1-yl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)n1cncc1[C@H](C)N
InChIInChI=1S/C11H20N4O/c1-7(2)14-11(16)9(4)15-6-13-5-10(15)8(3)12/h5-9H,12H2,1-4H3,(H,14,16)/t8-,9?/m0/s1
InChIKeyHPUXERQLPPQSLH-IENPIDJESA-N
MW224.31 g/mol
LogP0.99
Rot. Bonds4

About 2-[5-[(1S)-1-aminoethyl]imidazol-1-yl]-N-propan-2-ylpropanamide

2-[5-[(1S)-1-aminoethyl]imidazol-1-yl]-N-propan-2-ylpropanamide (PubChem CID 104943573) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-[5-[(1S)-1-aminoethyl]imidazol-1-yl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[5-[(1S)-1-aminoethyl]imidazol-1-yl]-N-propan-2-ylpropanamide
PubChem CID104943573
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-[5-[(1S)-1-aminoethyl]imidazol-1-yl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)n1cncc1[C@H](C)N
InChIInChI=1S/C11H20N4O/c1-7(2)14-11(16)9(4)15-6-13-5-10(15)8(3)12/h5-9H,12H2,1-4H3,(H,14,16)/t8-,9?/m0/s1
InChIKeyHPUXERQLPPQSLH-IENPIDJESA-N
XLogP0.99
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(1-aminoethyl)imidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 114707048
methyl 2-[5-(1-amino-2-methylpropyl)imidazol-1-yl]propanoate
CID 102969607
2-[5-(1-amino-3-methylbutan-2-yl)imidazol-1-yl]-N-methylpropanamide
CID 107444118
2-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]-N-propan-2-ylpropanamide
CID 114721712
1-(3-but-3-en-2-ylimidazol-4-yl)ethanamine
CID 114707390
1-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzimidazole-5-carboxylic acid
CID 45282385
2-(propan-2-ylamino)-2-(3-propan-2-ylimidazol-4-yl)acetamide
CID 66162615
1-[3-(1-methoxypropan-2-yl)imidazol-4-yl]ethanamine
CID 114702976
(1S)-1-(3-methylimidazol-4-yl)ethanamine
CID 82898137
(1S)-1-(3-hexan-2-ylimidazol-4-yl)ethanamine
CID 104942866
2-(3-aminopyrazol-1-yl)-N-propan-2-ylpropanamide
CID 60783024
2-[5-(1-amino-3-methylbutyl)imidazol-1-yl]-N,N-diethylpropanamide
CID 114707141

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(1S)-1-aminoethyl]imidazol-1-yl]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[5-[(1S)-1-aminoethyl]imidazol-1-yl]-N-propan-2-ylpropanamide (CID 104943573) is 2-[5-[(1S)-1-aminoethyl]imidazol-1-yl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[5-[(1S)-1-aminoethyl]imidazol-1-yl]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[5-[(1S)-1-aminoethyl]imidazol-1-yl]-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)n1cncc1[C@H](C)N.
What is the InChIKey of 2-[5-[(1S)-1-aminoethyl]imidazol-1-yl]-N-propan-2-ylpropanamide?
The InChIKey is HPUXERQLPPQSLH-IENPIDJESA-N. The full InChI is InChI=1S/C11H20N4O/c1-7(2)14-11(16)9(4)15-6-13-5-10(15)8(3)12/h5-9H,12H2,1-4H3,(H,14,16)/t8-,9?/m0/s1.
What are the key properties of 2-[5-[(1S)-1-aminoethyl]imidazol-1-yl]-N-propan-2-ylpropanamide?
2-[5-[(1S)-1-aminoethyl]imidazol-1-yl]-N-propan-2-ylpropanamide has a molecular weight of 224.31 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(1S)-1-aminoethyl]imidazol-1-yl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 104943573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).