N'-(3-butoxy-2,2-dimethylcyclobutyl)morpholine-4-carboximidamide

C15H29N3O2 — CID 111823197

IUPACN'-(3-butoxy-2,2-dimethylcyclobutyl)morpholine-4-carboximidamide
SMILESCCCCOC1CC(/N=C(\N)N2CCOCC2)C1(C)C
InChIInChI=1S/C15H29N3O2/c1-4-5-8-20-13-11-12(15(13,2)3)17-14(16)18-6-9-19-10-7-18/h12-13H,4-11H2,1-3H3,(H2,16,17)
InChIKeyLRKSHEMTRQDEQA-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.62
Rot. Bonds5

About N'-(3-butoxy-2,2-dimethylcyclobutyl)morpholine-4-carboximidamide

N'-(3-butoxy-2,2-dimethylcyclobutyl)morpholine-4-carboximidamide (PubChem CID 111823197) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is N'-(3-butoxy-2,2-dimethylcyclobutyl)morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-(3-butoxy-2,2-dimethylcyclobutyl)morpholine-4-carboximidamide
PubChem CID111823197
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC NameN'-(3-butoxy-2,2-dimethylcyclobutyl)morpholine-4-carboximidamide
SMILESCCCCOC1CC(/N=C(\N)N2CCOCC2)C1(C)C
InChIInChI=1S/C15H29N3O2/c1-4-5-8-20-13-11-12(15(13,2)3)17-14(16)18-6-9-19-10-7-18/h12-13H,4-11H2,1-3H3,(H2,16,17)
InChIKeyLRKSHEMTRQDEQA-UHFFFAOYSA-N
XLogP1.62
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 N'-(3-butoxy-2,2-dimethylcyclobutyl)morpholine-4-carboximidamide?
The IUPAC name of N'-(3-butoxy-2,2-dimethylcyclobutyl)morpholine-4-carboximidamide (CID 111823197) is N'-(3-butoxy-2,2-dimethylcyclobutyl)morpholine-4-carboximidamide.
What is the SMILES notation for N'-(3-butoxy-2,2-dimethylcyclobutyl)morpholine-4-carboximidamide?
The canonical SMILES for N'-(3-butoxy-2,2-dimethylcyclobutyl)morpholine-4-carboximidamide is CCCCOC1CC(/N=C(\N)N2CCOCC2)C1(C)C.
What is the InChIKey of N'-(3-butoxy-2,2-dimethylcyclobutyl)morpholine-4-carboximidamide?
The InChIKey is LRKSHEMTRQDEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-4-5-8-20-13-11-12(15(13,2)3)17-14(16)18-6-9-19-10-7-18/h12-13H,4-11H2,1-3H3,(H2,16,17).
What are the key properties of N'-(3-butoxy-2,2-dimethylcyclobutyl)morpholine-4-carboximidamide?
N'-(3-butoxy-2,2-dimethylcyclobutyl)morpholine-4-carboximidamide has a molecular weight of 283.42 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-butoxy-2,2-dimethylcyclobutyl)morpholine-4-carboximidamide is sourced from PubChem (CID 111823197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).