2-[2-(2-butoxyethoxy)ethyl]-1-ethyl-3-prop-2-enylguanidine

C14H29N3O2 — CID 136924567

IUPAC2-[2-(2-butoxyethoxy)ethyl]-1-ethyl-3-prop-2-enylguanidine
SMILESC=CCN/C(=N/CCOCCOCCCC)NCC
InChIInChI=1S/C14H29N3O2/c1-4-7-10-18-12-13-19-11-9-17-14(15-6-3)16-8-5-2/h5H,2,4,6-13H2,1,3H3,(H2,15,16,17)
InChIKeyYBGDZFUGPTXANA-UHFFFAOYSA-N
MW271.40 g/mol
LogP1.56
Rot. Bonds12

About 2-[2-(2-butoxyethoxy)ethyl]-1-ethyl-3-prop-2-enylguanidine

2-[2-(2-butoxyethoxy)ethyl]-1-ethyl-3-prop-2-enylguanidine (PubChem CID 136924567) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-[2-(2-butoxyethoxy)ethyl]-1-ethyl-3-prop-2-enylguanidine.

Molecular Properties

Compound Name2-[2-(2-butoxyethoxy)ethyl]-1-ethyl-3-prop-2-enylguanidine
PubChem CID136924567
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name2-[2-(2-butoxyethoxy)ethyl]-1-ethyl-3-prop-2-enylguanidine
SMILESC=CCN/C(=N/CCOCCOCCCC)NCC
InChIInChI=1S/C14H29N3O2/c1-4-7-10-18-12-13-19-11-9-17-14(15-6-3)16-8-5-2/h5H,2,4,6-13H2,1,3H3,(H2,15,16,17)
InChIKeyYBGDZFUGPTXANA-UHFFFAOYSA-N
XLogP1.56
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.56
H-Bond Donors ≤ 52
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-butoxyethoxy)ethyl]-1-ethyl-3-prop-2-enylguanidine?
The IUPAC name of 2-[2-(2-butoxyethoxy)ethyl]-1-ethyl-3-prop-2-enylguanidine (CID 136924567) is 2-[2-(2-butoxyethoxy)ethyl]-1-ethyl-3-prop-2-enylguanidine.
What is the SMILES notation for 2-[2-(2-butoxyethoxy)ethyl]-1-ethyl-3-prop-2-enylguanidine?
The canonical SMILES for 2-[2-(2-butoxyethoxy)ethyl]-1-ethyl-3-prop-2-enylguanidine is C=CCN/C(=N/CCOCCOCCCC)NCC.
What is the InChIKey of 2-[2-(2-butoxyethoxy)ethyl]-1-ethyl-3-prop-2-enylguanidine?
The InChIKey is YBGDZFUGPTXANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-4-7-10-18-12-13-19-11-9-17-14(15-6-3)16-8-5-2/h5H,2,4,6-13H2,1,3H3,(H2,15,16,17).
What are the key properties of 2-[2-(2-butoxyethoxy)ethyl]-1-ethyl-3-prop-2-enylguanidine?
2-[2-(2-butoxyethoxy)ethyl]-1-ethyl-3-prop-2-enylguanidine has a molecular weight of 271.40 g/mol, XLogP of 1.56, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-butoxyethoxy)ethyl]-1-ethyl-3-prop-2-enylguanidine is sourced from PubChem (CID 136924567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).