cis-(1S,2S)-1-(1H-imidazol-2-yl)-2-methylcyclopentan-1-amine

C9H15N3 — CID 125427358

IUPACcis-(1S,2S)-1-(1H-imidazol-2-yl)-2-methylcyclopentan-1-amine
SMILESC[C@H]1CCC[C@@]1(N)c1ncc[nH]1
InChIInChI=1S/C9H15N3/c1-7-3-2-4-9(7,10)8-11-5-6-12-8/h5-7H,2-4,10H2,1H3,(H,11,12)/t7-,9-/m0/s1
InChIKeyYDQHUTQJJLMPET-CBAPKCEASA-N
MW165.24 g/mol
LogP1.38
Rot. Bonds1

About cis-(1S,2S)-1-(1H-imidazol-2-yl)-2-methylcyclopentan-1-amine

cis-(1S,2S)-1-(1H-imidazol-2-yl)-2-methylcyclopentan-1-amine (PubChem CID 125427358) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is cis-(1S,2S)-1-(1H-imidazol-2-yl)-2-methylcyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1S,2S)-1-(1H-imidazol-2-yl)-2-methylcyclopentan-1-amine
PubChem CID125427358
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Namecis-(1S,2S)-1-(1H-imidazol-2-yl)-2-methylcyclopentan-1-amine
SMILESC[C@H]1CCC[C@@]1(N)c1ncc[nH]1
InChIInChI=1S/C9H15N3/c1-7-3-2-4-9(7,10)8-11-5-6-12-8/h5-7H,2-4,10H2,1H3,(H,11,12)/t7-,9-/m0/s1
InChIKeyYDQHUTQJJLMPET-CBAPKCEASA-N
XLogP1.38
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-1-(1H-imidazol-2-yl)-2-methylcyclopentan-1-amine?
The IUPAC name of cis-(1S,2S)-1-(1H-imidazol-2-yl)-2-methylcyclopentan-1-amine (CID 125427358) is cis-(1S,2S)-1-(1H-imidazol-2-yl)-2-methylcyclopentan-1-amine.
What is the SMILES notation for cis-(1S,2S)-1-(1H-imidazol-2-yl)-2-methylcyclopentan-1-amine?
The canonical SMILES for cis-(1S,2S)-1-(1H-imidazol-2-yl)-2-methylcyclopentan-1-amine is C[C@H]1CCC[C@@]1(N)c1ncc[nH]1.
What is the InChIKey of cis-(1S,2S)-1-(1H-imidazol-2-yl)-2-methylcyclopentan-1-amine?
The InChIKey is YDQHUTQJJLMPET-CBAPKCEASA-N. The full InChI is InChI=1S/C9H15N3/c1-7-3-2-4-9(7,10)8-11-5-6-12-8/h5-7H,2-4,10H2,1H3,(H,11,12)/t7-,9-/m0/s1.
What are the key properties of cis-(1S,2S)-1-(1H-imidazol-2-yl)-2-methylcyclopentan-1-amine?
cis-(1S,2S)-1-(1H-imidazol-2-yl)-2-methylcyclopentan-1-amine has a molecular weight of 165.24 g/mol, XLogP of 1.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-1-(1H-imidazol-2-yl)-2-methylcyclopentan-1-amine is sourced from PubChem (CID 125427358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).