N-amino-2,2,6,6-tetramethyl-N'-propylmorpholine-4-carboximidamide

C12H26N4O — CID 102746787

IUPACN-amino-2,2,6,6-tetramethyl-N'-propylmorpholine-4-carboximidamide
SMILESCCC/N=C(\NN)N1CC(C)(C)OC(C)(C)C1
InChIInChI=1S/C12H26N4O/c1-6-7-14-10(15-13)16-8-11(2,3)17-12(4,5)9-16/h6-9,13H2,1-5H3,(H,14,15)
InChIKeyPEMZOHOKNAKUMA-UHFFFAOYSA-N
MW242.37 g/mol
LogP1.11
Rot. Bonds2

About N-amino-2,2,6,6-tetramethyl-N'-propylmorpholine-4-carboximidamide

N-amino-2,2,6,6-tetramethyl-N'-propylmorpholine-4-carboximidamide (PubChem CID 102746787) has the molecular formula C12H26N4O and a molecular weight of 242.37 g/mol. Its IUPAC name is N-amino-2,2,6,6-tetramethyl-N'-propylmorpholine-4-carboximidamide.

Molecular Properties

Compound NameN-amino-2,2,6,6-tetramethyl-N'-propylmorpholine-4-carboximidamide
PubChem CID102746787
Molecular FormulaC12H26N4O
Molecular Weight242.37 g/mol
Exact Mass242.21
IUPAC NameN-amino-2,2,6,6-tetramethyl-N'-propylmorpholine-4-carboximidamide
SMILESCCC/N=C(\NN)N1CC(C)(C)OC(C)(C)C1
InChIInChI=1S/C12H26N4O/c1-6-7-14-10(15-13)16-8-11(2,3)17-12(4,5)9-16/h6-9,13H2,1-5H3,(H,14,15)
InChIKeyPEMZOHOKNAKUMA-UHFFFAOYSA-N
XLogP1.11
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,2,6,6-tetramethyl-N'-(2-methylpropyl)morpholine-4-carboximidamide
CID 102744286
N-(diaminomethylidene)-2,2,6,6-tetramethylmorpholine-4-carboximidamide
CID 102744287
2,2,6,6-tetramethyl-N'-propylmorpholine-4-carboximidamide
CID 102744289
N'-ethyl-2,2,6,6-tetramethylmorpholine-4-carboximidamide
CID 102744292
N',2,2,6,6-pentamethylmorpholine-4-carboximidamide
CID 102744293
N'-amino-2,2,6,6-tetramethylmorpholine-4-carboximidamide
CID 102744295
N-amino-N'-(3-methoxypropyl)-2,2,6,6-tetramethylmorpholine-4-carboximidamide
CID 102746783
N-amino-N'-butyl-2,2,6,6-tetramethylmorpholine-4-carboximidamide
CID 102746784
N-amino-N'-cyclohexyl-2,2,6,6-tetramethylmorpholine-4-carboximidamide
CID 102746785
N-amino-N',2,2,6,6-pentamethylmorpholine-4-carboximidamide
CID 102746786
N-amino-N'-ethyl-2,2,6,6-tetramethylmorpholine-4-carboximidamide
CID 102746788
N-amino-N'-cyclopentyl-2,2,6,6-tetramethylmorpholine-4-carboximidamide
CID 102746789

Frequently Asked Questions

What is the IUPAC name of N-amino-2,2,6,6-tetramethyl-N'-propylmorpholine-4-carboximidamide?
The IUPAC name of N-amino-2,2,6,6-tetramethyl-N'-propylmorpholine-4-carboximidamide (CID 102746787) is N-amino-2,2,6,6-tetramethyl-N'-propylmorpholine-4-carboximidamide.
What is the SMILES notation for N-amino-2,2,6,6-tetramethyl-N'-propylmorpholine-4-carboximidamide?
The canonical SMILES for N-amino-2,2,6,6-tetramethyl-N'-propylmorpholine-4-carboximidamide is CCC/N=C(\NN)N1CC(C)(C)OC(C)(C)C1.
What is the InChIKey of N-amino-2,2,6,6-tetramethyl-N'-propylmorpholine-4-carboximidamide?
The InChIKey is PEMZOHOKNAKUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O/c1-6-7-14-10(15-13)16-8-11(2,3)17-12(4,5)9-16/h6-9,13H2,1-5H3,(H,14,15).
What are the key properties of N-amino-2,2,6,6-tetramethyl-N'-propylmorpholine-4-carboximidamide?
N-amino-2,2,6,6-tetramethyl-N'-propylmorpholine-4-carboximidamide has a molecular weight of 242.37 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-2,2,6,6-tetramethyl-N'-propylmorpholine-4-carboximidamide is sourced from PubChem (CID 102746787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).