1,1,3,3-tetramethyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine

C13H27N3O2 — CID 111036016

IUPAC1,1,3,3-tetramethyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine
SMILESCN(C)C(=NCCCOCC1CCCO1)N(C)C
InChIInChI=1S/C13H27N3O2/c1-15(2)13(16(3)4)14-8-6-9-17-11-12-7-5-10-18-12/h12H,5-11H2,1-4H3
InChIKeyWRMFRYAUNLGYRU-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.05
Rot. Bonds6

About 1,1,3,3-tetramethyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine

1,1,3,3-tetramethyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine (PubChem CID 111036016) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1,1,3,3-tetramethyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine.

Molecular Properties

Compound Name1,1,3,3-tetramethyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine
PubChem CID111036016
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name1,1,3,3-tetramethyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine
SMILESCN(C)C(=NCCCOCC1CCCO1)N(C)C
InChIInChI=1S/C13H27N3O2/c1-15(2)13(16(3)4)14-8-6-9-17-11-12-7-5-10-18-12/h12H,5-11H2,1-4H3
InChIKeyWRMFRYAUNLGYRU-UHFFFAOYSA-N
XLogP1.05
TPSA37.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-1-methyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine
CID 110029628
1,1-diethyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine
CID 111035992
1,1,3,3-tetramethyl-2-[2-(oxan-2-yl)ethyl]guanidine;hydroiodide
CID 110018747
2-[[(2R)-oxolan-2-yl]methoxy]ethyl N,N-dimethylcarbamimidothioate
CID 97060416
1-(3-ethoxypropyl)-3-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111222112
1-[2-[butyl(methyl)amino]ethyl]-3-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111787412
2-[5-(oxepan-2-ylmethoxy)pentoxymethyl]oxepane
CID 58879072
1-[(2S)-butan-2-yl]-3-ethyl-2-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]guanidine
CID 95573142
2-[3-(cyclopropylmethoxy)propyl]-1-ethyl-3-[2-(oxolan-2-ylmethoxy)ethyl]guanidine
CID 111786839
1-(2-ethoxyethyl)-3-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111407644
1-[2-(cyclopropylmethoxy)ethyl]-3-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine
CID 111768913
1-hexyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111035993

Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetramethyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine?
The IUPAC name of 1,1,3,3-tetramethyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine (CID 111036016) is 1,1,3,3-tetramethyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine.
What is the SMILES notation for 1,1,3,3-tetramethyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine?
The canonical SMILES for 1,1,3,3-tetramethyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine is CN(C)C(=NCCCOCC1CCCO1)N(C)C.
What is the InChIKey of 1,1,3,3-tetramethyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine?
The InChIKey is WRMFRYAUNLGYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-15(2)13(16(3)4)14-8-6-9-17-11-12-7-5-10-18-12/h12H,5-11H2,1-4H3.
What are the key properties of 1,1,3,3-tetramethyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine?
1,1,3,3-tetramethyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine has a molecular weight of 257.38 g/mol, XLogP of 1.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetramethyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine is sourced from PubChem (CID 111036016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).