[(1S,3S)-3-(1H-imidazol-5-yl)cyclopentyl]methanamine

C9H15N3 — CID 127051958

IUPAC[(1S,3S)-3-(1H-imidazol-5-yl)cyclopentyl]methanamine
SMILESNC[C@H]1CC[C@H](c2cnc[nH]2)C1
InChIInChI=1S/C9H15N3/c10-4-7-1-2-8(3-7)9-5-11-6-12-9/h5-8H,1-4,10H2,(H,11,12)/t7-,8-/m0/s1
InChIKeyOCAVWRASUZEXJS-YUMQZZPRSA-N
MW165.24 g/mol
LogP1.25
Rot. Bonds2

About [(1S,3S)-3-(1H-imidazol-5-yl)cyclopentyl]methanamine

[(1S,3S)-3-(1H-imidazol-5-yl)cyclopentyl]methanamine (PubChem CID 127051958) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is [(1S,3S)-3-(1H-imidazol-5-yl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[(1S,3S)-3-(1H-imidazol-5-yl)cyclopentyl]methanamine
PubChem CID127051958
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name[(1S,3S)-3-(1H-imidazol-5-yl)cyclopentyl]methanamine
SMILESNC[C@H]1CC[C@H](c2cnc[nH]2)C1
InChIInChI=1S/C9H15N3/c10-4-7-1-2-8(3-7)9-5-11-6-12-9/h5-8H,1-4,10H2,(H,11,12)/t7-,8-/m0/s1
InChIKeyOCAVWRASUZEXJS-YUMQZZPRSA-N
XLogP1.25
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S,3S)-3-(1H-imidazol-5-yl)cyclopentyl]methanamine?
The IUPAC name of [(1S,3S)-3-(1H-imidazol-5-yl)cyclopentyl]methanamine (CID 127051958) is [(1S,3S)-3-(1H-imidazol-5-yl)cyclopentyl]methanamine.
What is the SMILES notation for [(1S,3S)-3-(1H-imidazol-5-yl)cyclopentyl]methanamine?
The canonical SMILES for [(1S,3S)-3-(1H-imidazol-5-yl)cyclopentyl]methanamine is NC[C@H]1CC[C@H](c2cnc[nH]2)C1.
What is the InChIKey of [(1S,3S)-3-(1H-imidazol-5-yl)cyclopentyl]methanamine?
The InChIKey is OCAVWRASUZEXJS-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H15N3/c10-4-7-1-2-8(3-7)9-5-11-6-12-9/h5-8H,1-4,10H2,(H,11,12)/t7-,8-/m0/s1.
What are the key properties of [(1S,3S)-3-(1H-imidazol-5-yl)cyclopentyl]methanamine?
[(1S,3S)-3-(1H-imidazol-5-yl)cyclopentyl]methanamine has a molecular weight of 165.24 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3S)-3-(1H-imidazol-5-yl)cyclopentyl]methanamine is sourced from PubChem (CID 127051958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).