cis-(1R,3S)-3-(1H-imidazol-2-ylmethyl)cyclopentan-1-amine;2,2,2-trifluoroacetic acid

C11H16F3N3O2 — CID 68833380

IUPACcis-(1R,3S)-3-(1H-imidazol-2-ylmethyl)cyclopentan-1-amine;2,2,2-trifluoroacetic acid
SMILESN[C@@H]1CC[C@H](Cc2ncc[nH]2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H15N3.C2HF3O2/c10-8-2-1-7(5-8)6-9-11-3-4-12-9;3-2(4,5)1(6)7/h3-4,7-8H,1-2,5-6,10H2,(H,11,12);(H,6,7)/t7-,8+;/m0./s1
InChIKeyARPXFUJDNCLHQD-KZYPOYLOSA-N
MW279.26 g/mol
LogP1.71
Rot. Bonds2

About cis-(1R,3S)-3-(1H-imidazol-2-ylmethyl)cyclopentan-1-amine;2,2,2-trifluoroacetic acid

cis-(1R,3S)-3-(1H-imidazol-2-ylmethyl)cyclopentan-1-amine;2,2,2-trifluoroacetic acid (PubChem CID 68833380) has the molecular formula C11H16F3N3O2 and a molecular weight of 279.26 g/mol. Its IUPAC name is cis-(1R,3S)-3-(1H-imidazol-2-ylmethyl)cyclopentan-1-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-(1H-imidazol-2-ylmethyl)cyclopentan-1-amine;2,2,2-trifluoroacetic acid
PubChem CID68833380
Molecular FormulaC11H16F3N3O2
Molecular Weight279.26 g/mol
Exact Mass279.12
IUPAC Namecis-(1R,3S)-3-(1H-imidazol-2-ylmethyl)cyclopentan-1-amine;2,2,2-trifluoroacetic acid
SMILESN[C@@H]1CC[C@H](Cc2ncc[nH]2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H15N3.C2HF3O2/c10-8-2-1-7(5-8)6-9-11-3-4-12-9;3-2(4,5)1(6)7/h3-4,7-8H,1-2,5-6,10H2,(H,11,12);(H,6,7)/t7-,8+;/m0./s1
InChIKeyARPXFUJDNCLHQD-KZYPOYLOSA-N
XLogP1.71
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-(1H-imidazol-2-ylmethyl)cyclopentan-1-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of cis-(1R,3S)-3-(1H-imidazol-2-ylmethyl)cyclopentan-1-amine;2,2,2-trifluoroacetic acid (CID 68833380) is cis-(1R,3S)-3-(1H-imidazol-2-ylmethyl)cyclopentan-1-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for cis-(1R,3S)-3-(1H-imidazol-2-ylmethyl)cyclopentan-1-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for cis-(1R,3S)-3-(1H-imidazol-2-ylmethyl)cyclopentan-1-amine;2,2,2-trifluoroacetic acid is N[C@@H]1CC[C@H](Cc2ncc[nH]2)C1.O=C(O)C(F)(F)F.
What is the InChIKey of cis-(1R,3S)-3-(1H-imidazol-2-ylmethyl)cyclopentan-1-amine;2,2,2-trifluoroacetic acid?
The InChIKey is ARPXFUJDNCLHQD-KZYPOYLOSA-N. The full InChI is InChI=1S/C9H15N3.C2HF3O2/c10-8-2-1-7(5-8)6-9-11-3-4-12-9;3-2(4,5)1(6)7/h3-4,7-8H,1-2,5-6,10H2,(H,11,12);(H,6,7)/t7-,8+;/m0./s1.
What are the key properties of cis-(1R,3S)-3-(1H-imidazol-2-ylmethyl)cyclopentan-1-amine;2,2,2-trifluoroacetic acid?
cis-(1R,3S)-3-(1H-imidazol-2-ylmethyl)cyclopentan-1-amine;2,2,2-trifluoroacetic acid has a molecular weight of 279.26 g/mol, XLogP of 1.71, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-(1H-imidazol-2-ylmethyl)cyclopentan-1-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68833380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).