(2R)-1-(1H-imidazol-5-yl)propan-2-amine;dihydrochloride

C6H13Cl2N3 — CID 11957567

IUPAC(2R)-1-(1H-imidazol-5-yl)propan-2-amine;dihydrochloride
SMILESC[C@@H](N)Cc1cnc[nH]1.Cl.Cl
InChIInChI=1S/C6H11N3.2ClH/c1-5(7)2-6-3-8-4-9-6;;/h3-5H,2,7H2,1H3,(H,8,9);2*1H/t5-;;/m1../s1
InChIKeyIZHCNQFUWDFPCW-ZJIMSODOSA-N
MW198.10 g/mol
LogP1.14
Rot. Bonds2

About (2R)-1-(1H-imidazol-5-yl)propan-2-amine;dihydrochloride

(2R)-1-(1H-imidazol-5-yl)propan-2-amine;dihydrochloride (PubChem CID 11957567) has the molecular formula C6H13Cl2N3 and a molecular weight of 198.10 g/mol. Its IUPAC name is (2R)-1-(1H-imidazol-5-yl)propan-2-amine;dihydrochloride.

Molecular Properties

Compound Name(2R)-1-(1H-imidazol-5-yl)propan-2-amine;dihydrochloride
PubChem CID11957567
Molecular FormulaC6H13Cl2N3
Molecular Weight198.10 g/mol
Exact Mass197.05
IUPAC Name(2R)-1-(1H-imidazol-5-yl)propan-2-amine;dihydrochloride
SMILESC[C@@H](N)Cc1cnc[nH]1.Cl.Cl
InChIInChI=1S/C6H11N3.2ClH/c1-5(7)2-6-3-8-4-9-6;;/h3-5H,2,7H2,1H3,(H,8,9);2*1H/t5-;;/m1../s1
InChIKeyIZHCNQFUWDFPCW-ZJIMSODOSA-N
XLogP1.14
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.10
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1H-imidazol-5-yl)propan-2-amine;dihydrochloride?
The IUPAC name of (2R)-1-(1H-imidazol-5-yl)propan-2-amine;dihydrochloride (CID 11957567) is (2R)-1-(1H-imidazol-5-yl)propan-2-amine;dihydrochloride.
What is the SMILES notation for (2R)-1-(1H-imidazol-5-yl)propan-2-amine;dihydrochloride?
The canonical SMILES for (2R)-1-(1H-imidazol-5-yl)propan-2-amine;dihydrochloride is C[C@@H](N)Cc1cnc[nH]1.Cl.Cl.
What is the InChIKey of (2R)-1-(1H-imidazol-5-yl)propan-2-amine;dihydrochloride?
The InChIKey is IZHCNQFUWDFPCW-ZJIMSODOSA-N. The full InChI is InChI=1S/C6H11N3.2ClH/c1-5(7)2-6-3-8-4-9-6;;/h3-5H,2,7H2,1H3,(H,8,9);2*1H/t5-;;/m1../s1.
What are the key properties of (2R)-1-(1H-imidazol-5-yl)propan-2-amine;dihydrochloride?
(2R)-1-(1H-imidazol-5-yl)propan-2-amine;dihydrochloride has a molecular weight of 198.10 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1H-imidazol-5-yl)propan-2-amine;dihydrochloride is sourced from PubChem (CID 11957567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).