1-butan-2-yl-2-cyclopropyl-1-(2-methoxyethyl)guanidine

C11H23N3O — CID 62363020

IUPAC1-butan-2-yl-2-cyclopropyl-1-(2-methoxyethyl)guanidine
SMILESCCC(C)N(CCOC)/C(N)=N/C1CC1
InChIInChI=1S/C11H23N3O/c1-4-9(2)14(7-8-15-3)11(12)13-10-5-6-10/h9-10H,4-8H2,1-3H3,(H2,12,13)
InChIKeyHOZGYAAIPKWOHI-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.21
Rot. Bonds6

About 1-butan-2-yl-2-cyclopropyl-1-(2-methoxyethyl)guanidine

1-butan-2-yl-2-cyclopropyl-1-(2-methoxyethyl)guanidine (PubChem CID 62363020) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-butan-2-yl-2-cyclopropyl-1-(2-methoxyethyl)guanidine.

Molecular Properties

Compound Name1-butan-2-yl-2-cyclopropyl-1-(2-methoxyethyl)guanidine
PubChem CID62363020
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name1-butan-2-yl-2-cyclopropyl-1-(2-methoxyethyl)guanidine
SMILESCCC(C)N(CCOC)/C(N)=N/C1CC1
InChIInChI=1S/C11H23N3O/c1-4-9(2)14(7-8-15-3)11(12)13-10-5-6-10/h9-10H,4-8H2,1-3H3,(H2,12,13)
InChIKeyHOZGYAAIPKWOHI-UHFFFAOYSA-N
XLogP1.21
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-2-cyclopropyl-1-(2-methoxyethyl)guanidine?
The IUPAC name of 1-butan-2-yl-2-cyclopropyl-1-(2-methoxyethyl)guanidine (CID 62363020) is 1-butan-2-yl-2-cyclopropyl-1-(2-methoxyethyl)guanidine.
What is the SMILES notation for 1-butan-2-yl-2-cyclopropyl-1-(2-methoxyethyl)guanidine?
The canonical SMILES for 1-butan-2-yl-2-cyclopropyl-1-(2-methoxyethyl)guanidine is CCC(C)N(CCOC)/C(N)=N/C1CC1.
What is the InChIKey of 1-butan-2-yl-2-cyclopropyl-1-(2-methoxyethyl)guanidine?
The InChIKey is HOZGYAAIPKWOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-4-9(2)14(7-8-15-3)11(12)13-10-5-6-10/h9-10H,4-8H2,1-3H3,(H2,12,13).
What are the key properties of 1-butan-2-yl-2-cyclopropyl-1-(2-methoxyethyl)guanidine?
1-butan-2-yl-2-cyclopropyl-1-(2-methoxyethyl)guanidine has a molecular weight of 213.32 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-2-cyclopropyl-1-(2-methoxyethyl)guanidine is sourced from PubChem (CID 62363020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).