2-[2-(2-hydroxypropan-2-yloxy)ethyl]guanidine

C6H15N3O2 — CID 118327794

IUPAC2-[2-(2-hydroxypropan-2-yloxy)ethyl]guanidine
SMILESCC(C)(O)OCCN=C(N)N
InChIInChI=1S/C6H15N3O2/c1-6(2,10)11-4-3-9-5(7)8/h10H,3-4H2,1-2H3,(H4,7,8,9)
InChIKeyUKTQJGXCFOTMBS-UHFFFAOYSA-N
MW161.20 g/mol
LogP-1.00
Rot. Bonds4

About 2-[2-(2-hydroxypropan-2-yloxy)ethyl]guanidine

2-[2-(2-hydroxypropan-2-yloxy)ethyl]guanidine (PubChem CID 118327794) has the molecular formula C6H15N3O2 and a molecular weight of 161.20 g/mol. Its IUPAC name is 2-[2-(2-hydroxypropan-2-yloxy)ethyl]guanidine.

Molecular Properties

Compound Name2-[2-(2-hydroxypropan-2-yloxy)ethyl]guanidine
PubChem CID118327794
Molecular FormulaC6H15N3O2
Molecular Weight161.20 g/mol
Exact Mass161.12
IUPAC Name2-[2-(2-hydroxypropan-2-yloxy)ethyl]guanidine
SMILESCC(C)(O)OCCN=C(N)N
InChIInChI=1S/C6H15N3O2/c1-6(2,10)11-4-3-9-5(7)8/h10H,3-4H2,1-2H3,(H4,7,8,9)
InChIKeyUKTQJGXCFOTMBS-UHFFFAOYSA-N
XLogP-1.00
TPSA93.86 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-(diaminomethylideneamino)ethyl]guanidine
CID 25831
2-[2-[3-[2-(diaminomethylideneamino)ethoxy]buta-1,3-dien-2-yloxy]ethyl]guanidine
CID 90967622
2-[2-(2-ethoxyethoxy)ethyl]guanidine;hydroiodide
CID 175829054
2-(diaminomethylideneamino)ethoxy-methylphosphinic acid
CID 3327890
2-(diaminomethylideneamino)ethyl butanoate
CID 121338595
2-[2-(diaminomethylideneamino)ethoxy]ethyl acetate
CID 18681322
2-(2-ethoxy-2-methylpropyl)guanidine
CID 114942747
2-[2-(diaminomethylideneamino)ethoxy]acetamide
CID 106238016
2-(2-prop-2-ynoxyethyl)guanidine
CID 130976126
tert-butyl N-[2-(diaminomethylideneamino)ethyl]carbamate;guanidine
CID 158640950
3-(diaminomethylideneamino)propyl methyl carbonate
CID 121342471
tert-butyl N-[3-(diaminomethylideneamino)propyl]carbamate
CID 15311263

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxypropan-2-yloxy)ethyl]guanidine?
The IUPAC name of 2-[2-(2-hydroxypropan-2-yloxy)ethyl]guanidine (CID 118327794) is 2-[2-(2-hydroxypropan-2-yloxy)ethyl]guanidine.
What is the SMILES notation for 2-[2-(2-hydroxypropan-2-yloxy)ethyl]guanidine?
The canonical SMILES for 2-[2-(2-hydroxypropan-2-yloxy)ethyl]guanidine is CC(C)(O)OCCN=C(N)N.
What is the InChIKey of 2-[2-(2-hydroxypropan-2-yloxy)ethyl]guanidine?
The InChIKey is UKTQJGXCFOTMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O2/c1-6(2,10)11-4-3-9-5(7)8/h10H,3-4H2,1-2H3,(H4,7,8,9).
What are the key properties of 2-[2-(2-hydroxypropan-2-yloxy)ethyl]guanidine?
2-[2-(2-hydroxypropan-2-yloxy)ethyl]guanidine has a molecular weight of 161.20 g/mol, XLogP of -1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxypropan-2-yloxy)ethyl]guanidine is sourced from PubChem (CID 118327794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).