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

C6H11ClN3- — CID 53313193

IUPAC(2R)-1-(1H-imidazol-5-yl)propan-2-amine chloride
SMILESC[C@@H](N)Cc1cnc[nH]1.[Cl-]
InChIInChI=1S/C6H11N3.ClH/c1-5(7)2-6-3-8-4-9-6;/h3-5H,2,7H2,1H3,(H,8,9);1H/p-1/t5-;/m1./s1
InChIKeyXGAQKLNTQVMPCP-NUBCRITNSA-M
MW160.63 g/mol
LogP-2.70
Rot. Bonds2

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

(2R)-1-(1H-imidazol-5-yl)propan-2-amine chloride (PubChem CID 53313193) has the molecular formula C6H11ClN3- and a molecular weight of 160.63 g/mol. Its IUPAC name is (2R)-1-(1H-imidazol-5-yl)propan-2-amine chloride.

Molecular Properties

Compound Name(2R)-1-(1H-imidazol-5-yl)propan-2-amine chloride
PubChem CID53313193
Molecular FormulaC6H11ClN3-
Molecular Weight160.63 g/mol
Exact Mass160.06
IUPAC Name(2R)-1-(1H-imidazol-5-yl)propan-2-amine chloride
SMILESC[C@@H](N)Cc1cnc[nH]1.[Cl-]
InChIInChI=1S/C6H11N3.ClH/c1-5(7)2-6-3-8-4-9-6;/h3-5H,2,7H2,1H3,(H,8,9);1H/p-1/t5-;/m1./s1
InChIKeyXGAQKLNTQVMPCP-NUBCRITNSA-M
XLogP-2.70
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.63
LogP ≤ 5-2.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-4-(1H-imidazol-5-yl)butan-2-ol
CID 123261764
(2S)-2-amino-1-(1H-imidazol-5-yl)-4-methylpentan-3-ol
CID 153098059
5-(2,3-dimethylbutyl)-1H-imidazole
CID 149460105
1-(1H-imidazol-5-yl)pentan-2-amine
CID 84752942
(1S)-2-(1H-imidazol-5-yl)-1-pyrimidin-2-ylethanamine
CID 165485208
(2S)-1-(1H-imidazol-5-yl)-3-methylbut-3-en-2-amine
CID 126613398
3-(1H-imidazol-5-yl)-1-N-methylpropane-1,2-diamine
CID 22084622
1-chloro-3-(1H-imidazol-5-yl)propan-2-amine;dihydrochloride
CID 19812378
3-amino-4-(1H-imidazol-5-yl)butan-2-one;dihydrochloride
CID 45260587
3-amino-4-(1H-imidazol-5-yl)butan-2-one;ethane
CID 177242295
[(2S)-2-aminopropanoyl] (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
CID 57177492
(2S)-2-amino-3-(1H-imidazol-5-yl)-1-(tetramethyl-λ5-phosphanyl)propan-1-one
CID 173268620

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1H-imidazol-5-yl)propan-2-amine chloride?
The IUPAC name of (2R)-1-(1H-imidazol-5-yl)propan-2-amine chloride (CID 53313193) is (2R)-1-(1H-imidazol-5-yl)propan-2-amine chloride.
What is the SMILES notation for (2R)-1-(1H-imidazol-5-yl)propan-2-amine chloride?
The canonical SMILES for (2R)-1-(1H-imidazol-5-yl)propan-2-amine chloride is C[C@@H](N)Cc1cnc[nH]1.[Cl-].
What is the InChIKey of (2R)-1-(1H-imidazol-5-yl)propan-2-amine chloride?
The InChIKey is XGAQKLNTQVMPCP-NUBCRITNSA-M. The full InChI is InChI=1S/C6H11N3.ClH/c1-5(7)2-6-3-8-4-9-6;/h3-5H,2,7H2,1H3,(H,8,9);1H/p-1/t5-;/m1./s1.
What are the key properties of (2R)-1-(1H-imidazol-5-yl)propan-2-amine chloride?
(2R)-1-(1H-imidazol-5-yl)propan-2-amine chloride has a molecular weight of 160.63 g/mol, XLogP of -2.70, 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 chloride is sourced from PubChem (CID 53313193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).