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

C6H13Cl2N3 — CID 67125181

IUPAC(2R)-2-(1H-imidazol-5-yl)propan-1-amine;dihydrochloride
SMILESC[C@H](CN)c1cnc[nH]1.Cl.Cl
InChIInChI=1S/C6H11N3.2ClH/c1-5(2-7)6-3-8-4-9-6;;/h3-5H,2,7H2,1H3,(H,8,9);2*1H/t5-;;/m1../s1
InChIKeyWYTFQBBWJOPBCK-ZJIMSODOSA-N
MW198.10 g/mol
LogP1.32
Rot. Bonds2

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

(2R)-2-(1H-imidazol-5-yl)propan-1-amine;dihydrochloride (PubChem CID 67125181) has the molecular formula C6H13Cl2N3 and a molecular weight of 198.10 g/mol. Its IUPAC name is (2R)-2-(1H-imidazol-5-yl)propan-1-amine;dihydrochloride.

Molecular Properties

Compound Name(2R)-2-(1H-imidazol-5-yl)propan-1-amine;dihydrochloride
PubChem CID67125181
Molecular FormulaC6H13Cl2N3
Molecular Weight198.10 g/mol
Exact Mass197.05
IUPAC Name(2R)-2-(1H-imidazol-5-yl)propan-1-amine;dihydrochloride
SMILESC[C@H](CN)c1cnc[nH]1.Cl.Cl
InChIInChI=1S/C6H11N3.2ClH/c1-5(2-7)6-3-8-4-9-6;;/h3-5H,2,7H2,1H3,(H,8,9);2*1H/t5-;;/m1../s1
InChIKeyWYTFQBBWJOPBCK-ZJIMSODOSA-N
XLogP1.32
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 ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(1H-imidazol-5-yl)propan-1-amine
CID 68653540
2-(1H-imidazol-5-yl)but-3-yn-1-amine;dihydrochloride
CID 88806755
(2S,3R)-3-(1H-imidazol-5-yl)butan-2-amine
CID 10447569
(2S,3S)-3-(1H-imidazol-5-yl)butan-2-amine;dihydrobromide
CID 45262234
3-(1H-imidazol-5-yl)butylphosphonic acid
CID 132937842
1-(1H-imidazol-5-yl)-2-methylbutan-1-ol;hydrochloride
CID 55254810
carbon dioxide;1-(1H-imidazol-5-yl)ethanamine
CID 176541381
2-(1H-imidazol-5-yl)propanoic acid;dihydrochloride
CID 67550386
ethane;3-ethyl-1-hydroxy-5-(1H-imidazol-5-yl)hexan-2-one
CID 143876657
2-(1H-imidazol-5-yl)-3-methylpentan-1-ol
CID 138636606
4-[(1S)-1-(1H-imidazol-5-yl)ethyl]pyridine
CID 129387018
3,3,3-trifluoro-1-(1H-imidazol-5-yl)propan-1-amine
CID 82409786

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1H-imidazol-5-yl)propan-1-amine;dihydrochloride?
The IUPAC name of (2R)-2-(1H-imidazol-5-yl)propan-1-amine;dihydrochloride (CID 67125181) is (2R)-2-(1H-imidazol-5-yl)propan-1-amine;dihydrochloride.
What is the SMILES notation for (2R)-2-(1H-imidazol-5-yl)propan-1-amine;dihydrochloride?
The canonical SMILES for (2R)-2-(1H-imidazol-5-yl)propan-1-amine;dihydrochloride is C[C@H](CN)c1cnc[nH]1.Cl.Cl.
What is the InChIKey of (2R)-2-(1H-imidazol-5-yl)propan-1-amine;dihydrochloride?
The InChIKey is WYTFQBBWJOPBCK-ZJIMSODOSA-N. The full InChI is InChI=1S/C6H11N3.2ClH/c1-5(2-7)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)-2-(1H-imidazol-5-yl)propan-1-amine;dihydrochloride?
(2R)-2-(1H-imidazol-5-yl)propan-1-amine;dihydrochloride has a molecular weight of 198.10 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1H-imidazol-5-yl)propan-1-amine;dihydrochloride is sourced from PubChem (CID 67125181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).