1-(2-but-3-enoxyethyl)-2-methylguanidine

C8H17N3O — CID 103852686

IUPAC1-(2-but-3-enoxyethyl)-2-methylguanidine
SMILESC=CCCOCCN/C(N)=N/C
InChIInChI=1S/C8H17N3O/c1-3-4-6-12-7-5-11-8(9)10-2/h3H,1,4-7H2,2H3,(H3,9,10,11)
InChIKeyRDNKXENSYCUNLU-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.11
Rot. Bonds6

About 1-(2-but-3-enoxyethyl)-2-methylguanidine

1-(2-but-3-enoxyethyl)-2-methylguanidine (PubChem CID 103852686) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-(2-but-3-enoxyethyl)-2-methylguanidine.

Molecular Properties

Compound Name1-(2-but-3-enoxyethyl)-2-methylguanidine
PubChem CID103852686
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name1-(2-but-3-enoxyethyl)-2-methylguanidine
SMILESC=CCCOCCN/C(N)=N/C
InChIInChI=1S/C8H17N3O/c1-3-4-6-12-7-5-11-8(9)10-2/h3H,1,4-7H2,2H3,(H3,9,10,11)
InChIKeyRDNKXENSYCUNLU-UHFFFAOYSA-N
XLogP0.11
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.11
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

N-(2-but-3-enoxyethyl)-4,5-dihydro-1H-imidazol-2-amine
CID 103852680
2-(2-But-3-enoxyethyl)-1-cyclopropylguanidine
CID 103852683
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-tert-butylguanidine
CID 103852807
2-(2-But-3-enoxyethyl)-1-propan-2-ylguanidine
CID 103852808
3-(2-Ethoxyethyl)-1-hept-6-enyl-1,2-dimethylguanidine
CID 109484341
3-(2-Butoxyethyl)-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide
CID 109496178
3-(2-Butoxyethyl)-1,2-dimethyl-1-pent-4-enylguanidine
CID 109496179
2-(2-Ethoxyethyl)-3-ethyl-1-methyl-1-pent-4-enylguanidine;hydroiodide
CID 109496192
2-(2-Ethoxyethyl)-3-ethyl-1-methyl-1-pent-4-enylguanidine
CID 109496193

Frequently Asked Questions

What is the IUPAC name of 1-(2-but-3-enoxyethyl)-2-methylguanidine?
The IUPAC name of 1-(2-but-3-enoxyethyl)-2-methylguanidine (CID 103852686) is 1-(2-but-3-enoxyethyl)-2-methylguanidine.
What is the SMILES notation for 1-(2-but-3-enoxyethyl)-2-methylguanidine?
The canonical SMILES for 1-(2-but-3-enoxyethyl)-2-methylguanidine is C=CCCOCCN/C(N)=N/C.
What is the InChIKey of 1-(2-but-3-enoxyethyl)-2-methylguanidine?
The InChIKey is RDNKXENSYCUNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-3-4-6-12-7-5-11-8(9)10-2/h3H,1,4-7H2,2H3,(H3,9,10,11).
What are the key properties of 1-(2-but-3-enoxyethyl)-2-methylguanidine?
1-(2-but-3-enoxyethyl)-2-methylguanidine has a molecular weight of 171.24 g/mol, XLogP of 0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-but-3-enoxyethyl)-2-methylguanidine is sourced from PubChem (CID 103852686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).