N,N-diethyl-N'-(2-methylpropyl)morpholine-4-carboximidamide

C13H27N3O — CID 118603016

IUPACN,N-diethyl-N'-(2-methylpropyl)morpholine-4-carboximidamide
SMILESCCN(CC)/C(=N\CC(C)C)N1CCOCC1
InChIInChI=1S/C13H27N3O/c1-5-15(6-2)13(14-11-12(3)4)16-7-9-17-10-8-16/h12H,5-11H2,1-4H3/b14-13+
InChIKeyUDCYCPQDGVHUBZ-BUHFOSPRSA-N
MW241.38 g/mol
LogP1.67
Rot. Bonds4

About N,N-diethyl-N'-(2-methylpropyl)morpholine-4-carboximidamide

N,N-diethyl-N'-(2-methylpropyl)morpholine-4-carboximidamide (PubChem CID 118603016) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N,N-diethyl-N'-(2-methylpropyl)morpholine-4-carboximidamide.

Molecular Properties

Compound NameN,N-diethyl-N'-(2-methylpropyl)morpholine-4-carboximidamide
PubChem CID118603016
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN,N-diethyl-N'-(2-methylpropyl)morpholine-4-carboximidamide
SMILESCCN(CC)/C(=N\CC(C)C)N1CCOCC1
InChIInChI=1S/C13H27N3O/c1-5-15(6-2)13(14-11-12(3)4)16-7-9-17-10-8-16/h12H,5-11H2,1-4H3/b14-13+
InChIKeyUDCYCPQDGVHUBZ-BUHFOSPRSA-N
XLogP1.67
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.67
H-Bond Donors ≤ 50
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 N,N-diethyl-N'-(2-methylpropyl)morpholine-4-carboximidamide?
The IUPAC name of N,N-diethyl-N'-(2-methylpropyl)morpholine-4-carboximidamide (CID 118603016) is N,N-diethyl-N'-(2-methylpropyl)morpholine-4-carboximidamide.
What is the SMILES notation for N,N-diethyl-N'-(2-methylpropyl)morpholine-4-carboximidamide?
The canonical SMILES for N,N-diethyl-N'-(2-methylpropyl)morpholine-4-carboximidamide is CCN(CC)/C(=N\CC(C)C)N1CCOCC1.
What is the InChIKey of N,N-diethyl-N'-(2-methylpropyl)morpholine-4-carboximidamide?
The InChIKey is UDCYCPQDGVHUBZ-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H27N3O/c1-5-15(6-2)13(14-11-12(3)4)16-7-9-17-10-8-16/h12H,5-11H2,1-4H3/b14-13+.
What are the key properties of N,N-diethyl-N'-(2-methylpropyl)morpholine-4-carboximidamide?
N,N-diethyl-N'-(2-methylpropyl)morpholine-4-carboximidamide has a molecular weight of 241.38 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-N'-(2-methylpropyl)morpholine-4-carboximidamide is sourced from PubChem (CID 118603016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).