N-amino-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide

C10H21N5O — CID 104882207

IUPACN-amino-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
SMILESC/N=C(\NN)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C10H21N5O/c1-12-10(13-11)15-3-2-9(8-15)14-4-6-16-7-5-14/h9H,2-8,11H2,1H3,(H,12,13)
InChIKeyOVBARVJGCJFKPI-UHFFFAOYSA-N
MW227.31 g/mol
LogP-1.16
Rot. Bonds1

About N-amino-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide

N-amino-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide (PubChem CID 104882207) has the molecular formula C10H21N5O and a molecular weight of 227.31 g/mol. Its IUPAC name is N-amino-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
PubChem CID104882207
Molecular FormulaC10H21N5O
Molecular Weight227.31 g/mol
Exact Mass227.17
IUPAC NameN-amino-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
SMILESC/N=C(\NN)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C10H21N5O/c1-12-10(13-11)15-3-2-9(8-15)14-4-6-16-7-5-14/h9H,2-8,11H2,1H3,(H,12,13)
InChIKeyOVBARVJGCJFKPI-UHFFFAOYSA-N
XLogP-1.16
TPSA66.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[4,5-Dimethyl-2-(morpholin-4-ylamino)-4,5-dihydroimidazol-1-yl]ethanol
CID 67876753
3-morpholin-4-yl-N'-propan-2-ylpyrrolidine-1-carboximidamide
CID 55169793
N'-cyclopropyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 63174633
N'-tert-butyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 63175261
N'-(2-methylpropyl)-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 63175262
N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 63175264
N'-ethyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 63175307
3-morpholin-4-yl-N'-propylpyrrolidine-1-carboximidamide
CID 63175308
N'-amino-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 77054122
N-(diaminomethylidene)-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 83037182
N-amino-N',2,5-trimethylmorpholine-4-carboximidamide
CID 104882001
N-amino-N',3-dimethylmorpholine-4-carboximidamide
CID 104882003

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide?
The IUPAC name of N-amino-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide (CID 104882207) is N-amino-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-amino-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-amino-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide is C/N=C(\NN)N1CCC(N2CCOCC2)C1.
What is the InChIKey of N-amino-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide?
The InChIKey is OVBARVJGCJFKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N5O/c1-12-10(13-11)15-3-2-9(8-15)14-4-6-16-7-5-14/h9H,2-8,11H2,1H3,(H,12,13).
What are the key properties of N-amino-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide?
N-amino-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide has a molecular weight of 227.31 g/mol, XLogP of -1.16, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 104882207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).