1-cyclobutyl-2-[(1-morpholin-4-ylcyclopropyl)methyl]guanidine

C13H24N4O — CID 122095628

IUPAC1-cyclobutyl-2-[(1-morpholin-4-ylcyclopropyl)methyl]guanidine
SMILESN/C(=N\CC1(N2CCOCC2)CC1)NC1CCC1
InChIInChI=1S/C13H24N4O/c14-12(16-11-2-1-3-11)15-10-13(4-5-13)17-6-8-18-9-7-17/h11H,1-10H2,(H3,14,15,16)
InChIKeyHRAUHJUSZUURSU-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.31
Rot. Bonds4

About 1-cyclobutyl-2-[(1-morpholin-4-ylcyclopropyl)methyl]guanidine

1-cyclobutyl-2-[(1-morpholin-4-ylcyclopropyl)methyl]guanidine (PubChem CID 122095628) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-cyclobutyl-2-[(1-morpholin-4-ylcyclopropyl)methyl]guanidine.

Molecular Properties

Compound Name1-cyclobutyl-2-[(1-morpholin-4-ylcyclopropyl)methyl]guanidine
PubChem CID122095628
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name1-cyclobutyl-2-[(1-morpholin-4-ylcyclopropyl)methyl]guanidine
SMILESN/C(=N\CC1(N2CCOCC2)CC1)NC1CCC1
InChIInChI=1S/C13H24N4O/c14-12(16-11-2-1-3-11)15-10-13(4-5-13)17-6-8-18-9-7-17/h11H,1-10H2,(H3,14,15,16)
InChIKeyHRAUHJUSZUURSU-UHFFFAOYSA-N
XLogP0.31
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.31
H-Bond Donors ≤ 52
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-cyclobutyl-2-[(1-morpholin-4-ylcyclopropyl)methyl]guanidine?
The IUPAC name of 1-cyclobutyl-2-[(1-morpholin-4-ylcyclopropyl)methyl]guanidine (CID 122095628) is 1-cyclobutyl-2-[(1-morpholin-4-ylcyclopropyl)methyl]guanidine.
What is the SMILES notation for 1-cyclobutyl-2-[(1-morpholin-4-ylcyclopropyl)methyl]guanidine?
The canonical SMILES for 1-cyclobutyl-2-[(1-morpholin-4-ylcyclopropyl)methyl]guanidine is N/C(=N\CC1(N2CCOCC2)CC1)NC1CCC1.
What is the InChIKey of 1-cyclobutyl-2-[(1-morpholin-4-ylcyclopropyl)methyl]guanidine?
The InChIKey is HRAUHJUSZUURSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c14-12(16-11-2-1-3-11)15-10-13(4-5-13)17-6-8-18-9-7-17/h11H,1-10H2,(H3,14,15,16).
What are the key properties of 1-cyclobutyl-2-[(1-morpholin-4-ylcyclopropyl)methyl]guanidine?
1-cyclobutyl-2-[(1-morpholin-4-ylcyclopropyl)methyl]guanidine has a molecular weight of 252.36 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-[(1-morpholin-4-ylcyclopropyl)methyl]guanidine is sourced from PubChem (CID 122095628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).