2-(2-but-3-enoxyethyl)-1-tert-butylguanidine

C11H23N3O — CID 103852807

IUPAC2-(2-but-3-enoxyethyl)-1-tert-butylguanidine
SMILESC=CCCOCC/N=C(\N)NC(C)(C)C
InChIInChI=1S/C11H23N3O/c1-5-6-8-15-9-7-13-10(12)14-11(2,3)4/h5H,1,6-9H2,2-4H3,(H3,12,13,14)
InChIKeyYFHXJEBLTSUADL-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.28
Rot. Bonds6

About 2-(2-but-3-enoxyethyl)-1-tert-butylguanidine

2-(2-but-3-enoxyethyl)-1-tert-butylguanidine (PubChem CID 103852807) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-(2-but-3-enoxyethyl)-1-tert-butylguanidine.

Molecular Properties

Compound Name2-(2-but-3-enoxyethyl)-1-tert-butylguanidine
PubChem CID103852807
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name2-(2-but-3-enoxyethyl)-1-tert-butylguanidine
SMILESC=CCCOCC/N=C(\N)NC(C)(C)C
InChIInChI=1S/C11H23N3O/c1-5-6-8-15-9-7-13-10(12)14-11(2,3)4/h5H,1,6-9H2,2-4H3,(H3,12,13,14)
InChIKeyYFHXJEBLTSUADL-UHFFFAOYSA-N
XLogP1.28
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2-But-3-enoxyethyl)-2-methylguanidine
CID 103852686
1-(2-But-3-enoxyethyl)-2-(2-methylpropyl)guanidine
CID 103852804
1-(2-But-3-enoxyethyl)-2-propylguanidine
CID 103852805
2-(2-But-3-enoxyethyl)-1-ethylguanidine
CID 103852806
2-(2-But-3-enoxyethyl)-1-propan-2-ylguanidine
CID 103852808
2-(2-But-3-enoxyethyl)-1,3-diethylguanidine;hydroiodide
CID 109616304
2-(2-But-3-enoxyethyl)-1,3-diethylguanidine
CID 109616305
2-(2-But-3-enoxyethyl)-1-(2-methoxyethyl)guanidine;hydroiodide
CID 109616306
2-(2-But-3-enoxyethyl)-1-(2-methoxyethyl)guanidine
CID 109616307
1-(2-But-3-enoxyethyl)-2-(2-methylpropyl)guanidine;hydroiodide
CID 109616384
2-(2-But-3-enoxyethyl)-1,1-diethylguanidine
CID 109616394
1-(2-But-3-enoxyethyl)-2-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 109616439

Frequently Asked Questions

What is the IUPAC name of 2-(2-but-3-enoxyethyl)-1-tert-butylguanidine?
The IUPAC name of 2-(2-but-3-enoxyethyl)-1-tert-butylguanidine (CID 103852807) is 2-(2-but-3-enoxyethyl)-1-tert-butylguanidine.
What is the SMILES notation for 2-(2-but-3-enoxyethyl)-1-tert-butylguanidine?
The canonical SMILES for 2-(2-but-3-enoxyethyl)-1-tert-butylguanidine is C=CCCOCC/N=C(\N)NC(C)(C)C.
What is the InChIKey of 2-(2-but-3-enoxyethyl)-1-tert-butylguanidine?
The InChIKey is YFHXJEBLTSUADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-5-6-8-15-9-7-13-10(12)14-11(2,3)4/h5H,1,6-9H2,2-4H3,(H3,12,13,14).
What are the key properties of 2-(2-but-3-enoxyethyl)-1-tert-butylguanidine?
2-(2-but-3-enoxyethyl)-1-tert-butylguanidine has a molecular weight of 213.32 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-but-3-enoxyethyl)-1-tert-butylguanidine is sourced from PubChem (CID 103852807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).