2-[(1S,2S)-2-(1H-imidazol-5-yl)cyclopropyl]ethanamine

C8H13N3 — CID 10154137

IUPAC2-[(1S,2S)-2-(1H-imidazol-5-yl)cyclopropyl]ethanamine
SMILESNCC[C@@H]1C[C@@H]1c1cnc[nH]1
InChIInChI=1S/C8H13N3/c9-2-1-6-3-7(6)8-4-10-5-11-8/h4-7H,1-3,9H2,(H,10,11)/t6-,7+/m1/s1
InChIKeyOTBYLNCJHFPRTL-RQJHMYQMSA-N
MW151.21 g/mol
LogP0.86
Rot. Bonds3

About 2-[(1S,2S)-2-(1H-imidazol-5-yl)cyclopropyl]ethanamine

2-[(1S,2S)-2-(1H-imidazol-5-yl)cyclopropyl]ethanamine (PubChem CID 10154137) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-[(1S,2S)-2-(1H-imidazol-5-yl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name2-[(1S,2S)-2-(1H-imidazol-5-yl)cyclopropyl]ethanamine
PubChem CID10154137
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name2-[(1S,2S)-2-(1H-imidazol-5-yl)cyclopropyl]ethanamine
SMILESNCC[C@@H]1C[C@@H]1c1cnc[nH]1
InChIInChI=1S/C8H13N3/c9-2-1-6-3-7(6)8-4-10-5-11-8/h4-7H,1-3,9H2,(H,10,11)/t6-,7+/m1/s1
InChIKeyOTBYLNCJHFPRTL-RQJHMYQMSA-N
XLogP0.86
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Burimamide
CID 3032915
Cipralisant
CID 6450823
alpha-Methyl-1H-imidazole-5-ethanamine
CID 3615
Immepip
CID 3035842
Vuf-5296
CID 10103168
alpha-methylhistamine, (R)-
CID 156615
1H-Imidazole-4-pentanamine
CID 9793868
4-(6-Cyclopentyl-hex-3-ynyl)-1H-imidazole
CID 9794398
(1R,2S)-2-(1H-Imidazol-4-yl)-1-methyl-propylamine
CID 9972056
4-(7,7-Dimethyl-oct-3-ynyl)-1H-imidazole
CID 10219888
Vuf-5297
CID 10374457
rac-1-[(1R,2R)-2-(1H-imidazol-5-yl)cyclopropyl]methanamine
CID 11094685

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S)-2-(1H-imidazol-5-yl)cyclopropyl]ethanamine?
The IUPAC name of 2-[(1S,2S)-2-(1H-imidazol-5-yl)cyclopropyl]ethanamine (CID 10154137) is 2-[(1S,2S)-2-(1H-imidazol-5-yl)cyclopropyl]ethanamine.
What is the SMILES notation for 2-[(1S,2S)-2-(1H-imidazol-5-yl)cyclopropyl]ethanamine?
The canonical SMILES for 2-[(1S,2S)-2-(1H-imidazol-5-yl)cyclopropyl]ethanamine is NCC[C@@H]1C[C@@H]1c1cnc[nH]1.
What is the InChIKey of 2-[(1S,2S)-2-(1H-imidazol-5-yl)cyclopropyl]ethanamine?
The InChIKey is OTBYLNCJHFPRTL-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H13N3/c9-2-1-6-3-7(6)8-4-10-5-11-8/h4-7H,1-3,9H2,(H,10,11)/t6-,7+/m1/s1.
What are the key properties of 2-[(1S,2S)-2-(1H-imidazol-5-yl)cyclopropyl]ethanamine?
2-[(1S,2S)-2-(1H-imidazol-5-yl)cyclopropyl]ethanamine has a molecular weight of 151.21 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S)-2-(1H-imidazol-5-yl)cyclopropyl]ethanamine is sourced from PubChem (CID 10154137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).