trans-(1S,2S)-2-(1H-imidazol-5-yl)cyclopentan-1-amine

C8H13N3 — CID 10240978

IUPACtrans-(1S,2S)-2-(1H-imidazol-5-yl)cyclopentan-1-amine
SMILESN[C@H]1CCC[C@@H]1c1cnc[nH]1
InChIInChI=1S/C8H13N3/c9-7-3-1-2-6(7)8-4-10-5-11-8/h4-7H,1-3,9H2,(H,10,11)/t6-,7-/m0/s1
InChIKeyMUHUWRJWVGDFJX-BQBZGAKWSA-N
MW151.21 g/mol
LogP1.00
Rot. Bonds1

About trans-(1S,2S)-2-(1H-imidazol-5-yl)cyclopentan-1-amine

trans-(1S,2S)-2-(1H-imidazol-5-yl)cyclopentan-1-amine (PubChem CID 10240978) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is trans-(1S,2S)-2-(1H-imidazol-5-yl)cyclopentan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(1H-imidazol-5-yl)cyclopentan-1-amine
PubChem CID10240978
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Nametrans-(1S,2S)-2-(1H-imidazol-5-yl)cyclopentan-1-amine
SMILESN[C@H]1CCC[C@@H]1c1cnc[nH]1
InChIInChI=1S/C8H13N3/c9-7-3-1-2-6(7)8-4-10-5-11-8/h4-7H,1-3,9H2,(H,10,11)/t6-,7-/m0/s1
InChIKeyMUHUWRJWVGDFJX-BQBZGAKWSA-N
XLogP1.00
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(1H-imidazol-5-yl)cyclopentan-1-amine?
The IUPAC name of trans-(1S,2S)-2-(1H-imidazol-5-yl)cyclopentan-1-amine (CID 10240978) is trans-(1S,2S)-2-(1H-imidazol-5-yl)cyclopentan-1-amine.
What is the SMILES notation for trans-(1S,2S)-2-(1H-imidazol-5-yl)cyclopentan-1-amine?
The canonical SMILES for trans-(1S,2S)-2-(1H-imidazol-5-yl)cyclopentan-1-amine is N[C@H]1CCC[C@@H]1c1cnc[nH]1.
What is the InChIKey of trans-(1S,2S)-2-(1H-imidazol-5-yl)cyclopentan-1-amine?
The InChIKey is MUHUWRJWVGDFJX-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H13N3/c9-7-3-1-2-6(7)8-4-10-5-11-8/h4-7H,1-3,9H2,(H,10,11)/t6-,7-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(1H-imidazol-5-yl)cyclopentan-1-amine?
trans-(1S,2S)-2-(1H-imidazol-5-yl)cyclopentan-1-amine has a molecular weight of 151.21 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(1H-imidazol-5-yl)cyclopentan-1-amine is sourced from PubChem (CID 10240978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).