2-[3-(2-aminoethyl)-2H-imidazol-1-yl]ethanamine

C7H16N4 — CID 14029866

IUPAC2-[3-(2-aminoethyl)-2H-imidazol-1-yl]ethanamine
SMILESNCCN1C=CN(CCN)C1
InChIInChI=1S/C7H16N4/c8-1-3-10-5-6-11(7-10)4-2-9/h5-6H,1-4,7-9H2
InChIKeyCKEJVODMBMMJJO-UHFFFAOYSA-N
MW156.23 g/mol
LogP-1.05
Rot. Bonds4

About 2-[3-(2-aminoethyl)-2H-imidazol-1-yl]ethanamine

2-[3-(2-aminoethyl)-2H-imidazol-1-yl]ethanamine (PubChem CID 14029866) has the molecular formula C7H16N4 and a molecular weight of 156.23 g/mol. Its IUPAC name is 2-[3-(2-aminoethyl)-2H-imidazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(2-aminoethyl)-2H-imidazol-1-yl]ethanamine
PubChem CID14029866
Molecular FormulaC7H16N4
Molecular Weight156.23 g/mol
Exact Mass156.14
IUPAC Name2-[3-(2-aminoethyl)-2H-imidazol-1-yl]ethanamine
SMILESNCCN1C=CN(CCN)C1
InChIInChI=1S/C7H16N4/c8-1-3-10-5-6-11(7-10)4-2-9/h5-6H,1-4,7-9H2
InChIKeyCKEJVODMBMMJJO-UHFFFAOYSA-N
XLogP-1.05
TPSA58.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-Aminoethyl)-1-vinylimidazole
CID 168152195
1-Ethenylimidazolidine
CID 6850839
1-[3-(2-aminopropyl)-2H-imidazol-1-yl]propan-2-amine
CID 15678409
N-ethyl-2-(3-methyl-2H-imidazol-1-yl)ethanamine
CID 19358898
1-N-ethenyl-1-N',1-N',1-N",1-N",2-N,2-N,2-N',2-N'-octamethylethane-1,1,1,2,2-pentamine
CID 19830403
1-N',1-N'-bis(2-aminoethyl)ethene-1,1-diamine
CID 23165401
2-Imidazolidin-1-ylethenamine
CID 66735382
2-(3-methyl-2H-imidazol-1-yl)ethanamine
CID 66897675
2-(3-butyl-2H-imidazol-1-yl)ethanamine
CID 66897903
N-methyl-2-(3-methyl-2H-imidazol-1-yl)ethanamine
CID 67240733
2-(2,3-dihydro-1H-imidazol-2-yl)-2,3-dihydro-1H-imidazole
CID 68625427
2-(2,3-Dihydro-1H-imidazol-1-yl)ethan-1-amine
CID 69586317

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminoethyl)-2H-imidazol-1-yl]ethanamine?
The IUPAC name of 2-[3-(2-aminoethyl)-2H-imidazol-1-yl]ethanamine (CID 14029866) is 2-[3-(2-aminoethyl)-2H-imidazol-1-yl]ethanamine.
What is the SMILES notation for 2-[3-(2-aminoethyl)-2H-imidazol-1-yl]ethanamine?
The canonical SMILES for 2-[3-(2-aminoethyl)-2H-imidazol-1-yl]ethanamine is NCCN1C=CN(CCN)C1.
What is the InChIKey of 2-[3-(2-aminoethyl)-2H-imidazol-1-yl]ethanamine?
The InChIKey is CKEJVODMBMMJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4/c8-1-3-10-5-6-11(7-10)4-2-9/h5-6H,1-4,7-9H2.
What are the key properties of 2-[3-(2-aminoethyl)-2H-imidazol-1-yl]ethanamine?
2-[3-(2-aminoethyl)-2H-imidazol-1-yl]ethanamine has a molecular weight of 156.23 g/mol, XLogP of -1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminoethyl)-2H-imidazol-1-yl]ethanamine is sourced from PubChem (CID 14029866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).