1-cyclopropyl-2-ethyl-1-(3-methylbutyl)guanidine

C11H23N3 — CID 78989365

IUPAC1-cyclopropyl-2-ethyl-1-(3-methylbutyl)guanidine
SMILESCC/N=C(\N)N(CCC(C)C)C1CC1
InChIInChI=1S/C11H23N3/c1-4-13-11(12)14(10-5-6-10)8-7-9(2)3/h9-10H,4-8H2,1-3H3,(H2,12,13)
InChIKeyYAHJZMLQNYEDNJ-UHFFFAOYSA-N
MW197.33 g/mol
LogP1.83
Rot. Bonds5

About 1-cyclopropyl-2-ethyl-1-(3-methylbutyl)guanidine

1-cyclopropyl-2-ethyl-1-(3-methylbutyl)guanidine (PubChem CID 78989365) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 1-cyclopropyl-2-ethyl-1-(3-methylbutyl)guanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-ethyl-1-(3-methylbutyl)guanidine
PubChem CID78989365
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name1-cyclopropyl-2-ethyl-1-(3-methylbutyl)guanidine
SMILESCC/N=C(\N)N(CCC(C)C)C1CC1
InChIInChI=1S/C11H23N3/c1-4-13-11(12)14(10-5-6-10)8-7-9(2)3/h9-10H,4-8H2,1-3H3,(H2,12,13)
InChIKeyYAHJZMLQNYEDNJ-UHFFFAOYSA-N
XLogP1.83
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-cyclopropyl-2-ethyl-1-(3-methylbutyl)guanidine?
The IUPAC name of 1-cyclopropyl-2-ethyl-1-(3-methylbutyl)guanidine (CID 78989365) is 1-cyclopropyl-2-ethyl-1-(3-methylbutyl)guanidine.
What is the SMILES notation for 1-cyclopropyl-2-ethyl-1-(3-methylbutyl)guanidine?
The canonical SMILES for 1-cyclopropyl-2-ethyl-1-(3-methylbutyl)guanidine is CC/N=C(\N)N(CCC(C)C)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-ethyl-1-(3-methylbutyl)guanidine?
The InChIKey is YAHJZMLQNYEDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-4-13-11(12)14(10-5-6-10)8-7-9(2)3/h9-10H,4-8H2,1-3H3,(H2,12,13).
What are the key properties of 1-cyclopropyl-2-ethyl-1-(3-methylbutyl)guanidine?
1-cyclopropyl-2-ethyl-1-(3-methylbutyl)guanidine has a molecular weight of 197.33 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-ethyl-1-(3-methylbutyl)guanidine is sourced from PubChem (CID 78989365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).