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

C10H19N3O — CID 103852683

IUPAC2-(2-but-3-enoxyethyl)-1-cyclopropylguanidine
SMILESC=CCCOCC/N=C(\N)NC1CC1
InChIInChI=1S/C10H19N3O/c1-2-3-7-14-8-6-12-10(11)13-9-4-5-9/h2,9H,1,3-8H2,(H3,11,12,13)
InChIKeyYVWXPTUAARERTO-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.65
Rot. Bonds7

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

2-(2-but-3-enoxyethyl)-1-cyclopropylguanidine (PubChem CID 103852683) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-(2-but-3-enoxyethyl)-1-cyclopropylguanidine.

Molecular Properties

Compound Name2-(2-but-3-enoxyethyl)-1-cyclopropylguanidine
PubChem CID103852683
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-(2-but-3-enoxyethyl)-1-cyclopropylguanidine
SMILESC=CCCOCC/N=C(\N)NC1CC1
InChIInChI=1S/C10H19N3O/c1-2-3-7-14-8-6-12-10(11)13-9-4-5-9/h2,9H,1,3-8H2,(H3,11,12,13)
InChIKeyYVWXPTUAARERTO-UHFFFAOYSA-N
XLogP0.65
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.65
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

2-(2-But-3-enoxyethyl)-1-cyclopentylguanidine
CID 103852682
1-(2-But-3-enoxyethyl)-2-methylguanidine
CID 103852686
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
CID 109616307
1-(2-But-3-enoxyethyl)-3-cyclopropyl-2-methylguanidine;hydroiodide
CID 109616308
1-(2-But-3-enoxyethyl)-3-cyclopropyl-2-methylguanidine
CID 109616309
1-(2-But-3-enoxyethyl)-2-butylguanidine
CID 109616444
2-(2-But-3-enoxyethyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 109616453

Frequently Asked Questions

What is the IUPAC name of 2-(2-but-3-enoxyethyl)-1-cyclopropylguanidine?
The IUPAC name of 2-(2-but-3-enoxyethyl)-1-cyclopropylguanidine (CID 103852683) is 2-(2-but-3-enoxyethyl)-1-cyclopropylguanidine.
What is the SMILES notation for 2-(2-but-3-enoxyethyl)-1-cyclopropylguanidine?
The canonical SMILES for 2-(2-but-3-enoxyethyl)-1-cyclopropylguanidine is C=CCCOCC/N=C(\N)NC1CC1.
What is the InChIKey of 2-(2-but-3-enoxyethyl)-1-cyclopropylguanidine?
The InChIKey is YVWXPTUAARERTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-2-3-7-14-8-6-12-10(11)13-9-4-5-9/h2,9H,1,3-8H2,(H3,11,12,13).
What are the key properties of 2-(2-but-3-enoxyethyl)-1-cyclopropylguanidine?
2-(2-but-3-enoxyethyl)-1-cyclopropylguanidine has a molecular weight of 197.28 g/mol, XLogP of 0.65, 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-cyclopropylguanidine is sourced from PubChem (CID 103852683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).