1-(2-but-3-enoxyethyl)-2-(2-methylpropyl)guanidine

C11H23N3O — CID 103852804

IUPAC1-(2-but-3-enoxyethyl)-2-(2-methylpropyl)guanidine
SMILESC=CCCOCCN/C(N)=N/CC(C)C
InChIInChI=1S/C11H23N3O/c1-4-5-7-15-8-6-13-11(12)14-9-10(2)3/h4,10H,1,5-9H2,2-3H3,(H3,12,13,14)
InChIKeyJQWKFJQMCDDNLV-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.14
Rot. Bonds8

About 1-(2-but-3-enoxyethyl)-2-(2-methylpropyl)guanidine

1-(2-but-3-enoxyethyl)-2-(2-methylpropyl)guanidine (PubChem CID 103852804) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-(2-but-3-enoxyethyl)-2-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-(2-but-3-enoxyethyl)-2-(2-methylpropyl)guanidine
PubChem CID103852804
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name1-(2-but-3-enoxyethyl)-2-(2-methylpropyl)guanidine
SMILESC=CCCOCCN/C(N)=N/CC(C)C
InChIInChI=1S/C11H23N3O/c1-4-5-7-15-8-6-13-11(12)14-9-10(2)3/h4,10H,1,5-9H2,2-3H3,(H3,12,13,14)
InChIKeyJQWKFJQMCDDNLV-UHFFFAOYSA-N
XLogP1.14
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.14
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
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-tert-butylguanidine
CID 103852807
2-(2-But-3-enoxyethyl)-1-propan-2-ylguanidine
CID 103852808
3-(2-Butoxyethyl)-1,2-dimethyl-1-pent-4-enylguanidine
CID 109496179
1,2-Dimethyl-3-[2-(2-methylpropoxy)ethyl]-1-pent-4-enylguanidine;hydroiodide
CID 109497223
1,2-Dimethyl-3-[2-(2-methylpropoxy)ethyl]-1-pent-4-enylguanidine
CID 109497224
3-(2-Ethoxyethyl)-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide
CID 109499097
3-(2-Ethoxyethyl)-1,2-dimethyl-1-pent-4-enylguanidine
CID 109499098
3-[2-(Cyclopropylmethoxy)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine
CID 109499132

Frequently Asked Questions

What is the IUPAC name of 1-(2-but-3-enoxyethyl)-2-(2-methylpropyl)guanidine?
The IUPAC name of 1-(2-but-3-enoxyethyl)-2-(2-methylpropyl)guanidine (CID 103852804) is 1-(2-but-3-enoxyethyl)-2-(2-methylpropyl)guanidine.
What is the SMILES notation for 1-(2-but-3-enoxyethyl)-2-(2-methylpropyl)guanidine?
The canonical SMILES for 1-(2-but-3-enoxyethyl)-2-(2-methylpropyl)guanidine is C=CCCOCCN/C(N)=N/CC(C)C.
What is the InChIKey of 1-(2-but-3-enoxyethyl)-2-(2-methylpropyl)guanidine?
The InChIKey is JQWKFJQMCDDNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-4-5-7-15-8-6-13-11(12)14-9-10(2)3/h4,10H,1,5-9H2,2-3H3,(H3,12,13,14).
What are the key properties of 1-(2-but-3-enoxyethyl)-2-(2-methylpropyl)guanidine?
1-(2-but-3-enoxyethyl)-2-(2-methylpropyl)guanidine has a molecular weight of 213.32 g/mol, XLogP of 1.14, 8 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-(2-methylpropyl)guanidine is sourced from PubChem (CID 103852804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).