1-cyclopropyl-1-methyl-2-(3-propan-2-yloxycyclobutyl)guanidine

C12H23N3O — CID 122098510

IUPAC1-cyclopropyl-1-methyl-2-(3-propan-2-yloxycyclobutyl)guanidine
SMILESCC(C)OC1CC(/N=C(\N)N(C)C2CC2)C1
InChIInChI=1S/C12H23N3O/c1-8(2)16-11-6-9(7-11)14-12(13)15(3)10-4-5-10/h8-11H,4-7H2,1-3H3,(H2,13,14)
InChIKeyMSEMCRIXEXOUIM-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.35
Rot. Bonds4

About 1-cyclopropyl-1-methyl-2-(3-propan-2-yloxycyclobutyl)guanidine

1-cyclopropyl-1-methyl-2-(3-propan-2-yloxycyclobutyl)guanidine (PubChem CID 122098510) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-cyclopropyl-1-methyl-2-(3-propan-2-yloxycyclobutyl)guanidine.

Molecular Properties

Compound Name1-cyclopropyl-1-methyl-2-(3-propan-2-yloxycyclobutyl)guanidine
PubChem CID122098510
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-cyclopropyl-1-methyl-2-(3-propan-2-yloxycyclobutyl)guanidine
SMILESCC(C)OC1CC(/N=C(\N)N(C)C2CC2)C1
InChIInChI=1S/C12H23N3O/c1-8(2)16-11-6-9(7-11)14-12(13)15(3)10-4-5-10/h8-11H,4-7H2,1-3H3,(H2,13,14)
InChIKeyMSEMCRIXEXOUIM-UHFFFAOYSA-N
XLogP1.35
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.35
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-cyclopropyl-1-methyl-2-(3-propan-2-yloxycyclobutyl)guanidine?
The IUPAC name of 1-cyclopropyl-1-methyl-2-(3-propan-2-yloxycyclobutyl)guanidine (CID 122098510) is 1-cyclopropyl-1-methyl-2-(3-propan-2-yloxycyclobutyl)guanidine.
What is the SMILES notation for 1-cyclopropyl-1-methyl-2-(3-propan-2-yloxycyclobutyl)guanidine?
The canonical SMILES for 1-cyclopropyl-1-methyl-2-(3-propan-2-yloxycyclobutyl)guanidine is CC(C)OC1CC(/N=C(\N)N(C)C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-1-methyl-2-(3-propan-2-yloxycyclobutyl)guanidine?
The InChIKey is MSEMCRIXEXOUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-8(2)16-11-6-9(7-11)14-12(13)15(3)10-4-5-10/h8-11H,4-7H2,1-3H3,(H2,13,14).
What are the key properties of 1-cyclopropyl-1-methyl-2-(3-propan-2-yloxycyclobutyl)guanidine?
1-cyclopropyl-1-methyl-2-(3-propan-2-yloxycyclobutyl)guanidine has a molecular weight of 225.34 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-methyl-2-(3-propan-2-yloxycyclobutyl)guanidine is sourced from PubChem (CID 122098510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).