2-[3-amino-1-(2-amino-1H-imidazol-5-yl)propoxy]ethanol

C8H16N4O2 — CID 10536030

IUPAC2-[3-amino-1-(2-amino-1H-imidazol-5-yl)propoxy]ethanol
SMILESNCCC(OCCO)c1cnc(N)[nH]1
InChIInChI=1S/C8H16N4O2/c9-2-1-7(14-4-3-13)6-5-11-8(10)12-6/h5,7,13H,1-4,9H2,(H3,10,11,12)
InChIKeyJXUOJWLCQXPTIP-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.61
Rot. Bonds6

About 2-[3-amino-1-(2-amino-1H-imidazol-5-yl)propoxy]ethanol

2-[3-amino-1-(2-amino-1H-imidazol-5-yl)propoxy]ethanol (PubChem CID 10536030) has the molecular formula C8H16N4O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-[3-amino-1-(2-amino-1H-imidazol-5-yl)propoxy]ethanol.

Molecular Properties

Compound Name2-[3-amino-1-(2-amino-1H-imidazol-5-yl)propoxy]ethanol
PubChem CID10536030
Molecular FormulaC8H16N4O2
Molecular Weight200.24 g/mol
Exact Mass200.13
IUPAC Name2-[3-amino-1-(2-amino-1H-imidazol-5-yl)propoxy]ethanol
SMILESNCCC(OCCO)c1cnc(N)[nH]1
InChIInChI=1S/C8H16N4O2/c9-2-1-7(14-4-3-13)6-5-11-8(10)12-6/h5,7,13H,1-4,9H2,(H3,10,11,12)
InChIKeyJXUOJWLCQXPTIP-UHFFFAOYSA-N
XLogP-0.61
TPSA110.18 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

Guanidine, N-cyano-N''-methyl-N'-[[(2R,5R)-tetrahydro-5-(1H-imidazol-5-yl)-2-furanyl]methyl]-, rel-
CID 10106063
Imifuramine
CID 10197870
1-cyano-3-[[(2S,5R)-5-(1H-imidazol-5-yl)oxolan-2-yl]methyl]-2-methylguanidine
CID 10037650
[(2R,5S)-5-(1H-imidazol-5-yl)oxolan-2-yl]methanamine
CID 10419556
[(2S,5R)-5-(1H-imidazol-5-yl)oxolan-2-yl]methanamine
CID 10583206
[(2S,5S)-5-(1H-imidazol-5-yl)oxolan-2-yl]methanamine
CID 10678661
[(2R,5R)-5-(1H-imidazol-5-yl)-2,5-dihydrofuran-2-yl]methanamine
CID 10773349
[(2S,5S)-5-(1H-imidazol-5-yl)-2,5-dihydrofuran-2-yl]methanamine
CID 10820929
1-cyano-3-[[(2R,5S)-5-(1H-imidazol-5-yl)oxolan-2-yl]methyl]-2-methylguanidine
CID 11086114
[(2S,5R)-5-(1H-imidazol-5-yl)-2,5-dihydrofuran-2-yl]methanamine
CID 10702196
[(2R,5S)-5-(1H-imidazol-5-yl)-2,5-dihydrofuran-2-yl]methanamine
CID 10820930
1-cyano-3-[[(2S,5S)-5-(1H-imidazol-5-yl)oxolan-2-yl]methyl]-2-methylguanidine
CID 10879463

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-1-(2-amino-1H-imidazol-5-yl)propoxy]ethanol?
The IUPAC name of 2-[3-amino-1-(2-amino-1H-imidazol-5-yl)propoxy]ethanol (CID 10536030) is 2-[3-amino-1-(2-amino-1H-imidazol-5-yl)propoxy]ethanol.
What is the SMILES notation for 2-[3-amino-1-(2-amino-1H-imidazol-5-yl)propoxy]ethanol?
The canonical SMILES for 2-[3-amino-1-(2-amino-1H-imidazol-5-yl)propoxy]ethanol is NCCC(OCCO)c1cnc(N)[nH]1.
What is the InChIKey of 2-[3-amino-1-(2-amino-1H-imidazol-5-yl)propoxy]ethanol?
The InChIKey is JXUOJWLCQXPTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2/c9-2-1-7(14-4-3-13)6-5-11-8(10)12-6/h5,7,13H,1-4,9H2,(H3,10,11,12).
What are the key properties of 2-[3-amino-1-(2-amino-1H-imidazol-5-yl)propoxy]ethanol?
2-[3-amino-1-(2-amino-1H-imidazol-5-yl)propoxy]ethanol has a molecular weight of 200.24 g/mol, XLogP of -0.61, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-1-(2-amino-1H-imidazol-5-yl)propoxy]ethanol is sourced from PubChem (CID 10536030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).