N-amino-N'-(3-methoxypropyl)-2,2,6,6-tetramethylmorpholine-4-carboximidamide

C13H28N4O2 — CID 102746783

IUPACN-amino-N'-(3-methoxypropyl)-2,2,6,6-tetramethylmorpholine-4-carboximidamide
SMILESCOCCC/N=C(\NN)N1CC(C)(C)OC(C)(C)C1
InChIInChI=1S/C13H28N4O2/c1-12(2)9-17(10-13(3,4)19-12)11(16-14)15-7-6-8-18-5/h6-10,14H2,1-5H3,(H,15,16)
InChIKeyDPPUYJNIHLMOOK-UHFFFAOYSA-N
MW272.39 g/mol
LogP0.73
Rot. Bonds4

About N-amino-N'-(3-methoxypropyl)-2,2,6,6-tetramethylmorpholine-4-carboximidamide

N-amino-N'-(3-methoxypropyl)-2,2,6,6-tetramethylmorpholine-4-carboximidamide (PubChem CID 102746783) has the molecular formula C13H28N4O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is N-amino-N'-(3-methoxypropyl)-2,2,6,6-tetramethylmorpholine-4-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-(3-methoxypropyl)-2,2,6,6-tetramethylmorpholine-4-carboximidamide
PubChem CID102746783
Molecular FormulaC13H28N4O2
Molecular Weight272.39 g/mol
Exact Mass272.22
IUPAC NameN-amino-N'-(3-methoxypropyl)-2,2,6,6-tetramethylmorpholine-4-carboximidamide
SMILESCOCCC/N=C(\NN)N1CC(C)(C)OC(C)(C)C1
InChIInChI=1S/C13H28N4O2/c1-12(2)9-17(10-13(3,4)19-12)11(16-14)15-7-6-8-18-5/h6-10,14H2,1-5H3,(H,15,16)
InChIKeyDPPUYJNIHLMOOK-UHFFFAOYSA-N
XLogP0.73
TPSA72.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

N-amino-N'-butyl-2,2,6,6-tetramethylmorpholine-4-carboximidamide
CID 102746784
N-amino-N',2,2,6,6-pentamethylmorpholine-4-carboximidamide
CID 102746786
N-amino-2,2,6,6-tetramethyl-N'-propylmorpholine-4-carboximidamide
CID 102746787
N-amino-N'-ethyl-2,2,6,6-tetramethylmorpholine-4-carboximidamide
CID 102746788
N-amino-N'-cyclopropyl-2,2,6,6-tetramethylmorpholine-4-carboximidamide
CID 102746790
N-amino-N'-(3-ethoxypropyl)-2,2,6,6-tetramethylmorpholine-4-carboximidamide
CID 102746791
N-amino-N'-(1-methoxypropan-2-yl)-2,2,6,6-tetramethylmorpholine-4-carboximidamide
CID 102746792
N-amino-N'-(2-methoxyethyl)-2,2,6,6-tetramethylmorpholine-4-carboximidamide
CID 102746794
N-amino-N'-(3-ethoxypropyl)-3-methoxy-4-methylpiperidine-1-carboximidamide
CID 102972031
N-amino-3-methoxy-N'-(3-methoxypropyl)piperidine-1-carboximidamide
CID 102972037
N-amino-N',2,6-trimethylmorpholine-4-carboximidamide
CID 104881957
N-amino-N',2-dimethylmorpholine-4-carboximidamide
CID 104881959

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-(3-methoxypropyl)-2,2,6,6-tetramethylmorpholine-4-carboximidamide?
The IUPAC name of N-amino-N'-(3-methoxypropyl)-2,2,6,6-tetramethylmorpholine-4-carboximidamide (CID 102746783) is N-amino-N'-(3-methoxypropyl)-2,2,6,6-tetramethylmorpholine-4-carboximidamide.
What is the SMILES notation for N-amino-N'-(3-methoxypropyl)-2,2,6,6-tetramethylmorpholine-4-carboximidamide?
The canonical SMILES for N-amino-N'-(3-methoxypropyl)-2,2,6,6-tetramethylmorpholine-4-carboximidamide is COCCC/N=C(\NN)N1CC(C)(C)OC(C)(C)C1.
What is the InChIKey of N-amino-N'-(3-methoxypropyl)-2,2,6,6-tetramethylmorpholine-4-carboximidamide?
The InChIKey is DPPUYJNIHLMOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O2/c1-12(2)9-17(10-13(3,4)19-12)11(16-14)15-7-6-8-18-5/h6-10,14H2,1-5H3,(H,15,16).
What are the key properties of N-amino-N'-(3-methoxypropyl)-2,2,6,6-tetramethylmorpholine-4-carboximidamide?
N-amino-N'-(3-methoxypropyl)-2,2,6,6-tetramethylmorpholine-4-carboximidamide has a molecular weight of 272.39 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-(3-methoxypropyl)-2,2,6,6-tetramethylmorpholine-4-carboximidamide is sourced from PubChem (CID 102746783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).