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

C7H11N3 — CID 11116130

IUPAC[(1S,2R)-2-(1H-imidazol-5-yl)cyclopropyl]methanamine
SMILESNC[C@H]1C[C@H]1c1cnc[nH]1
InChIInChI=1S/C7H11N3/c8-2-5-1-6(5)7-3-9-4-10-7/h3-6H,1-2,8H2,(H,9,10)/t5-,6-/m1/s1
InChIKeyLMFNLINKCDGRTE-PHDIDXHHSA-N
MW137.19 g/mol
LogP0.47
Rot. Bonds2

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

[(1S,2R)-2-(1H-imidazol-5-yl)cyclopropyl]methanamine (PubChem CID 11116130) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is [(1S,2R)-2-(1H-imidazol-5-yl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[(1S,2R)-2-(1H-imidazol-5-yl)cyclopropyl]methanamine
PubChem CID11116130
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name[(1S,2R)-2-(1H-imidazol-5-yl)cyclopropyl]methanamine
SMILESNC[C@H]1C[C@H]1c1cnc[nH]1
InChIInChI=1S/C7H11N3/c8-2-5-1-6(5)7-3-9-4-10-7/h3-6H,1-2,8H2,(H,9,10)/t5-,6-/m1/s1
InChIKeyLMFNLINKCDGRTE-PHDIDXHHSA-N
XLogP0.47
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Histamine
CID 774
Burimamide
CID 3032915
Cipralisant
CID 6450823
Histamine Hydrochloride
CID 120160
2-(1H-Imidazol-5-yl)ethan-1-aminium
CID 25201573
N(alpha)-methylhistamine
CID 912
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

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-(1H-imidazol-5-yl)cyclopropyl]methanamine?
The IUPAC name of [(1S,2R)-2-(1H-imidazol-5-yl)cyclopropyl]methanamine (CID 11116130) is [(1S,2R)-2-(1H-imidazol-5-yl)cyclopropyl]methanamine.
What is the SMILES notation for [(1S,2R)-2-(1H-imidazol-5-yl)cyclopropyl]methanamine?
The canonical SMILES for [(1S,2R)-2-(1H-imidazol-5-yl)cyclopropyl]methanamine is NC[C@H]1C[C@H]1c1cnc[nH]1.
What is the InChIKey of [(1S,2R)-2-(1H-imidazol-5-yl)cyclopropyl]methanamine?
The InChIKey is LMFNLINKCDGRTE-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H11N3/c8-2-5-1-6(5)7-3-9-4-10-7/h3-6H,1-2,8H2,(H,9,10)/t5-,6-/m1/s1.
What are the key properties of [(1S,2R)-2-(1H-imidazol-5-yl)cyclopropyl]methanamine?
[(1S,2R)-2-(1H-imidazol-5-yl)cyclopropyl]methanamine has a molecular weight of 137.19 g/mol, XLogP of 0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-(1H-imidazol-5-yl)cyclopropyl]methanamine is sourced from PubChem (CID 11116130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).