1-cyclopropyl-1-methyl-2-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]guanidine

C15H27N3O2 — CID 110031906

IUPAC1-cyclopropyl-1-methyl-2-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]guanidine
SMILESCC1CCC2(CC1)OCC(C/N=C(\N)N(C)C1CC1)O2
InChIInChI=1S/C15H27N3O2/c1-11-5-7-15(8-6-11)19-10-13(20-15)9-17-14(16)18(2)12-3-4-12/h11-13H,3-10H2,1-2H3,(H2,16,17)
InChIKeyIAUWYUOODLBTGW-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.72
Rot. Bonds3

About 1-cyclopropyl-1-methyl-2-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]guanidine

1-cyclopropyl-1-methyl-2-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]guanidine (PubChem CID 110031906) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-cyclopropyl-1-methyl-2-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]guanidine.

Molecular Properties

Compound Name1-cyclopropyl-1-methyl-2-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]guanidine
PubChem CID110031906
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name1-cyclopropyl-1-methyl-2-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]guanidine
SMILESCC1CCC2(CC1)OCC(C/N=C(\N)N(C)C1CC1)O2
InChIInChI=1S/C15H27N3O2/c1-11-5-7-15(8-6-11)19-10-13(20-15)9-17-14(16)18(2)12-3-4-12/h11-13H,3-10H2,1-2H3,(H2,16,17)
InChIKeyIAUWYUOODLBTGW-UHFFFAOYSA-N
XLogP1.72
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]guanidine?
The IUPAC name of 1-cyclopropyl-1-methyl-2-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]guanidine (CID 110031906) is 1-cyclopropyl-1-methyl-2-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]guanidine.
What is the SMILES notation for 1-cyclopropyl-1-methyl-2-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]guanidine?
The canonical SMILES for 1-cyclopropyl-1-methyl-2-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]guanidine is CC1CCC2(CC1)OCC(C/N=C(\N)N(C)C1CC1)O2.
What is the InChIKey of 1-cyclopropyl-1-methyl-2-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]guanidine?
The InChIKey is IAUWYUOODLBTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-11-5-7-15(8-6-11)19-10-13(20-15)9-17-14(16)18(2)12-3-4-12/h11-13H,3-10H2,1-2H3,(H2,16,17).
What are the key properties of 1-cyclopropyl-1-methyl-2-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]guanidine?
1-cyclopropyl-1-methyl-2-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]guanidine has a molecular weight of 281.40 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-methyl-2-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]guanidine is sourced from PubChem (CID 110031906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).