2-(2-but-3-enoxyethyl)-1-propan-2-ylguanidine

C10H21N3O — CID 103852808

IUPAC2-(2-but-3-enoxyethyl)-1-propan-2-ylguanidine
SMILESC=CCCOCC/N=C(\N)NC(C)C
InChIInChI=1S/C10H21N3O/c1-4-5-7-14-8-6-12-10(11)13-9(2)3/h4,9H,1,5-8H2,2-3H3,(H3,11,12,13)
InChIKeyCETGXLKOIZSQMC-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.89
Rot. Bonds7

About 2-(2-but-3-enoxyethyl)-1-propan-2-ylguanidine

2-(2-but-3-enoxyethyl)-1-propan-2-ylguanidine (PubChem CID 103852808) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-(2-but-3-enoxyethyl)-1-propan-2-ylguanidine.

Molecular Properties

Compound Name2-(2-but-3-enoxyethyl)-1-propan-2-ylguanidine
PubChem CID103852808
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name2-(2-but-3-enoxyethyl)-1-propan-2-ylguanidine
SMILESC=CCCOCC/N=C(\N)NC(C)C
InChIInChI=1S/C10H21N3O/c1-4-5-7-14-8-6-12-10(11)13-9(2)3/h4,9H,1,5-8H2,2-3H3,(H3,11,12,13)
InChIKeyCETGXLKOIZSQMC-UHFFFAOYSA-N
XLogP0.89
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.89
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-cyclopentylguanidine
CID 103852682
2-(2-But-3-enoxyethyl)-1-cyclopropylguanidine
CID 103852683
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-tert-butylguanidine
CID 103852807
2-(2-Ethoxyethyl)-3-ethyl-1-methyl-1-pent-4-enylguanidine
CID 109496193
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

Frequently Asked Questions

What is the IUPAC name of 2-(2-but-3-enoxyethyl)-1-propan-2-ylguanidine?
The IUPAC name of 2-(2-but-3-enoxyethyl)-1-propan-2-ylguanidine (CID 103852808) is 2-(2-but-3-enoxyethyl)-1-propan-2-ylguanidine.
What is the SMILES notation for 2-(2-but-3-enoxyethyl)-1-propan-2-ylguanidine?
The canonical SMILES for 2-(2-but-3-enoxyethyl)-1-propan-2-ylguanidine is C=CCCOCC/N=C(\N)NC(C)C.
What is the InChIKey of 2-(2-but-3-enoxyethyl)-1-propan-2-ylguanidine?
The InChIKey is CETGXLKOIZSQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-4-5-7-14-8-6-12-10(11)13-9(2)3/h4,9H,1,5-8H2,2-3H3,(H3,11,12,13).
What are the key properties of 2-(2-but-3-enoxyethyl)-1-propan-2-ylguanidine?
2-(2-but-3-enoxyethyl)-1-propan-2-ylguanidine has a molecular weight of 199.30 g/mol, XLogP of 0.89, 7 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-propan-2-ylguanidine is sourced from PubChem (CID 103852808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).