1-(4,5-dihydroimidazol-1-yl)ethanamine;hydrochloride

C5H12ClN3 — CID 18997706

IUPAC1-(4,5-dihydroimidazol-1-yl)ethanamine;hydrochloride
SMILESCC(N)N1C=NCC1.Cl
InChIInChI=1S/C5H11N3.ClH/c1-5(6)8-3-2-7-4-8;/h4-5H,2-3,6H2,1H3;1H
InChIKeyXIPNOSYDEVQQSM-UHFFFAOYSA-N
MW149.63 g/mol
LogP0.06
Rot. Bonds1

About 1-(4,5-dihydroimidazol-1-yl)ethanamine;hydrochloride

1-(4,5-dihydroimidazol-1-yl)ethanamine;hydrochloride (PubChem CID 18997706) has the molecular formula C5H12ClN3 and a molecular weight of 149.63 g/mol. Its IUPAC name is 1-(4,5-dihydroimidazol-1-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-(4,5-dihydroimidazol-1-yl)ethanamine;hydrochloride
PubChem CID18997706
Molecular FormulaC5H12ClN3
Molecular Weight149.63 g/mol
Exact Mass149.07
IUPAC Name1-(4,5-dihydroimidazol-1-yl)ethanamine;hydrochloride
SMILESCC(N)N1C=NCC1.Cl
InChIInChI=1S/C5H11N3.ClH/c1-5(6)8-3-2-7-4-8;/h4-5H,2-3,6H2,1H3;1H
InChIKeyXIPNOSYDEVQQSM-UHFFFAOYSA-N
XLogP0.06
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.63
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4,5-Dihydro-imidazol-1-yl)ethylamine
CID 176243
2-Dimethylamino-2-imidazoline
CID 411671
Amino ethyl imidazoline
CID 18727545
Methyl imidazolinium chloride
CID 70583797
1-methyl-4,5-dihydro-1H-imidazol-2-ylamine
CID 4606882
N,N-diethyl-4,5-dihydro-1H-imidazol-2-amine
CID 233957
3-methyl-4,5-dihydro-1H-imidazol-3-ium
CID 17934181
N-ethyl-1-methyl-4,5-dihydroimidazol-2-amine
CID 18728196
N-ethyl-N-methyl-4,5-dihydro-1H-imidazol-2-amine
CID 18728206
1-(4,5-Dihydroimidazol-1-yl)ethanamine
CID 18997707
1-Methyl-4,5-dihydro-1H-imidazol-2-amine hydrochloride
CID 19426873
4,5-dihydro-1H-imidazole;trimethylazanium;chloride
CID 19898331

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydroimidazol-1-yl)ethanamine;hydrochloride?
The IUPAC name of 1-(4,5-dihydroimidazol-1-yl)ethanamine;hydrochloride (CID 18997706) is 1-(4,5-dihydroimidazol-1-yl)ethanamine;hydrochloride.
What is the SMILES notation for 1-(4,5-dihydroimidazol-1-yl)ethanamine;hydrochloride?
The canonical SMILES for 1-(4,5-dihydroimidazol-1-yl)ethanamine;hydrochloride is CC(N)N1C=NCC1.Cl.
What is the InChIKey of 1-(4,5-dihydroimidazol-1-yl)ethanamine;hydrochloride?
The InChIKey is XIPNOSYDEVQQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3.ClH/c1-5(6)8-3-2-7-4-8;/h4-5H,2-3,6H2,1H3;1H.
What are the key properties of 1-(4,5-dihydroimidazol-1-yl)ethanamine;hydrochloride?
1-(4,5-dihydroimidazol-1-yl)ethanamine;hydrochloride has a molecular weight of 149.63 g/mol, XLogP of 0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydroimidazol-1-yl)ethanamine;hydrochloride is sourced from PubChem (CID 18997706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).