N,N-diethylmorpholine-4-carboximidamide

C9H19N3O — CID 90350361

IUPACN,N-diethylmorpholine-4-carboximidamide
SMILES[H]/N=C(\N(CC)CC)N1CCOCC1
InChIInChI=1S/C9H19N3O/c1-3-11(4-2)9(10)12-5-7-13-8-6-12/h10H,3-8H2,1-2H3/b10-9+
InChIKeyLQYFTFWMTUQHRL-MDZDMXLPSA-N
MW185.27 g/mol
LogP0.60
Rot. Bonds2

About N,N-diethylmorpholine-4-carboximidamide

N,N-diethylmorpholine-4-carboximidamide (PubChem CID 90350361) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is N,N-diethylmorpholine-4-carboximidamide.

Molecular Properties

Compound NameN,N-diethylmorpholine-4-carboximidamide
PubChem CID90350361
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC NameN,N-diethylmorpholine-4-carboximidamide
SMILES[H]/N=C(\N(CC)CC)N1CCOCC1
InChIInChI=1S/C9H19N3O/c1-3-11(4-2)9(10)12-5-7-13-8-6-12/h10H,3-8H2,1-2H3/b10-9+
InChIKeyLQYFTFWMTUQHRL-MDZDMXLPSA-N
XLogP0.60
TPSA39.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.60
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 N,N-diethylmorpholine-4-carboximidamide?
The IUPAC name of N,N-diethylmorpholine-4-carboximidamide (CID 90350361) is N,N-diethylmorpholine-4-carboximidamide.
What is the SMILES notation for N,N-diethylmorpholine-4-carboximidamide?
The canonical SMILES for N,N-diethylmorpholine-4-carboximidamide is [H]/N=C(\N(CC)CC)N1CCOCC1.
What is the InChIKey of N,N-diethylmorpholine-4-carboximidamide?
The InChIKey is LQYFTFWMTUQHRL-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H19N3O/c1-3-11(4-2)9(10)12-5-7-13-8-6-12/h10H,3-8H2,1-2H3/b10-9+.
What are the key properties of N,N-diethylmorpholine-4-carboximidamide?
N,N-diethylmorpholine-4-carboximidamide has a molecular weight of 185.27 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylmorpholine-4-carboximidamide is sourced from PubChem (CID 90350361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).