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

C6H12ClN3 — CID 18648741

IUPAC(2R)-1-(1H-imidazol-5-yl)propan-2-amine;hydrochloride
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/t5-;/m1./s1
InChIKeyXGAQKLNTQVMPCP-NUBCRITNSA-N
MW161.64 g/mol
LogP0.72
Rot. Bonds2

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

(2R)-1-(1H-imidazol-5-yl)propan-2-amine;hydrochloride (PubChem CID 18648741) has the molecular formula C6H12ClN3 and a molecular weight of 161.64 g/mol. Its IUPAC name is (2R)-1-(1H-imidazol-5-yl)propan-2-amine;hydrochloride.

Molecular Properties

Compound Name(2R)-1-(1H-imidazol-5-yl)propan-2-amine;hydrochloride
PubChem CID18648741
Molecular FormulaC6H12ClN3
Molecular Weight161.64 g/mol
Exact Mass161.07
IUPAC Name(2R)-1-(1H-imidazol-5-yl)propan-2-amine;hydrochloride
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/t5-;/m1./s1
InChIKeyXGAQKLNTQVMPCP-NUBCRITNSA-N
XLogP0.72
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.64
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Histamine
CID 774
4-Methylimidazole
CID 13195
1-Methylhistamine
CID 3614
Histamine Dihydrochloride
CID 5818
L-Histidinol
CID 165271
N,N-Dimethyl-1H-imidazole-4-ethanamine
CID 12656
(alphaS)-alpha-Amino-1H-imidazole-5-propanal
CID 152657
3-Methylhistamine
CID 69520
Burimamide
CID 3032915
Histamine Hydrochloride
CID 120160
2-(1H-Imidazol-5-yl)ethan-1-aminium
CID 25201573
N(alpha)-methylhistamine
CID 912

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1H-imidazol-5-yl)propan-2-amine;hydrochloride?
The IUPAC name of (2R)-1-(1H-imidazol-5-yl)propan-2-amine;hydrochloride (CID 18648741) is (2R)-1-(1H-imidazol-5-yl)propan-2-amine;hydrochloride.
What is the SMILES notation for (2R)-1-(1H-imidazol-5-yl)propan-2-amine;hydrochloride?
The canonical SMILES for (2R)-1-(1H-imidazol-5-yl)propan-2-amine;hydrochloride is C[C@@H](N)Cc1cnc[nH]1.Cl.
What is the InChIKey of (2R)-1-(1H-imidazol-5-yl)propan-2-amine;hydrochloride?
The InChIKey is XGAQKLNTQVMPCP-NUBCRITNSA-N. 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/t5-;/m1./s1.
What are the key properties of (2R)-1-(1H-imidazol-5-yl)propan-2-amine;hydrochloride?
(2R)-1-(1H-imidazol-5-yl)propan-2-amine;hydrochloride has a molecular weight of 161.64 g/mol, XLogP of 0.72, 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;hydrochloride is sourced from PubChem (CID 18648741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).