(2S)-1-(1H-imidazol-5-yl)propan-2-amine

C6H11N3 — CID 6603865

IUPAC(2S)-1-(1H-imidazol-5-yl)propan-2-amine
SMILESC[C@H](N)Cc1cnc[nH]1
InChIInChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m0/s1
InChIKeyXNQIOISZPFVUFG-YFKPBYRVSA-N
MW125.17 g/mol
LogP0.30
Rot. Bonds2

About (2S)-1-(1H-imidazol-5-yl)propan-2-amine

(2S)-1-(1H-imidazol-5-yl)propan-2-amine (PubChem CID 6603865) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is (2S)-1-(1H-imidazol-5-yl)propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(1H-imidazol-5-yl)propan-2-amine
PubChem CID6603865
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name(2S)-1-(1H-imidazol-5-yl)propan-2-amine
SMILESC[C@H](N)Cc1cnc[nH]1
InChIInChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m0/s1
InChIKeyXNQIOISZPFVUFG-YFKPBYRVSA-N
XLogP0.30
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(1H-imidazol-5-yl)propan-2-amine?
The IUPAC name of (2S)-1-(1H-imidazol-5-yl)propan-2-amine (CID 6603865) is (2S)-1-(1H-imidazol-5-yl)propan-2-amine.
What is the SMILES notation for (2S)-1-(1H-imidazol-5-yl)propan-2-amine?
The canonical SMILES for (2S)-1-(1H-imidazol-5-yl)propan-2-amine is C[C@H](N)Cc1cnc[nH]1.
What is the InChIKey of (2S)-1-(1H-imidazol-5-yl)propan-2-amine?
The InChIKey is XNQIOISZPFVUFG-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m0/s1.
What are the key properties of (2S)-1-(1H-imidazol-5-yl)propan-2-amine?
(2S)-1-(1H-imidazol-5-yl)propan-2-amine has a molecular weight of 125.17 g/mol, XLogP of 0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(1H-imidazol-5-yl)propan-2-amine is sourced from PubChem (CID 6603865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).