N-amino-3-morpholin-4-yl-N'-propylpyrrolidine-1-carboximidamide

C12H25N5O — CID 104885951

IUPACN-amino-3-morpholin-4-yl-N'-propylpyrrolidine-1-carboximidamide
SMILESCCC/N=C(\NN)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C12H25N5O/c1-2-4-14-12(15-13)17-5-3-11(10-17)16-6-8-18-9-7-16/h11H,2-10,13H2,1H3,(H,14,15)
InChIKeyMVDKJSUFZCPURD-UHFFFAOYSA-N
MW255.37 g/mol
LogP-0.38
Rot. Bonds3

About N-amino-3-morpholin-4-yl-N'-propylpyrrolidine-1-carboximidamide

N-amino-3-morpholin-4-yl-N'-propylpyrrolidine-1-carboximidamide (PubChem CID 104885951) has the molecular formula C12H25N5O and a molecular weight of 255.37 g/mol. Its IUPAC name is N-amino-3-morpholin-4-yl-N'-propylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-3-morpholin-4-yl-N'-propylpyrrolidine-1-carboximidamide
PubChem CID104885951
Molecular FormulaC12H25N5O
Molecular Weight255.37 g/mol
Exact Mass255.21
IUPAC NameN-amino-3-morpholin-4-yl-N'-propylpyrrolidine-1-carboximidamide
SMILESCCC/N=C(\NN)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C12H25N5O/c1-2-4-14-12(15-13)17-5-3-11(10-17)16-6-8-18-9-7-16/h11H,2-10,13H2,1H3,(H,14,15)
InChIKeyMVDKJSUFZCPURD-UHFFFAOYSA-N
XLogP-0.38
TPSA66.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 5-0.38
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

N-butyl-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111726567
N'-(2-butoxyethyl)-N-ethyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111728652
N-ethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111726072
N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)ethyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111728468
N-ethyl-N'-[3-[ethyl(methylsulfonyl)amino]propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111726415
N'-ethyl-N-(2-methylcyclopropyl)-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111727246
ethyl 4-[[N-methyl-C-(3-morpholin-4-ylpyrrolidin-1-yl)carbonimidoyl]amino]butanoate
CID 111727507
N'-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-N-ethyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111726843
N'-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-N-ethyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 119142744
N'-methyl-N-(4-methylpentyl)-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111726361
N-amino-N'-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide
CID 104887396
N-ethyl-N'-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111727978

Frequently Asked Questions

What is the IUPAC name of N-amino-3-morpholin-4-yl-N'-propylpyrrolidine-1-carboximidamide?
The IUPAC name of N-amino-3-morpholin-4-yl-N'-propylpyrrolidine-1-carboximidamide (CID 104885951) is N-amino-3-morpholin-4-yl-N'-propylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-amino-3-morpholin-4-yl-N'-propylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-amino-3-morpholin-4-yl-N'-propylpyrrolidine-1-carboximidamide is CCC/N=C(\NN)N1CCC(N2CCOCC2)C1.
What is the InChIKey of N-amino-3-morpholin-4-yl-N'-propylpyrrolidine-1-carboximidamide?
The InChIKey is MVDKJSUFZCPURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N5O/c1-2-4-14-12(15-13)17-5-3-11(10-17)16-6-8-18-9-7-16/h11H,2-10,13H2,1H3,(H,14,15).
What are the key properties of N-amino-3-morpholin-4-yl-N'-propylpyrrolidine-1-carboximidamide?
N-amino-3-morpholin-4-yl-N'-propylpyrrolidine-1-carboximidamide has a molecular weight of 255.37 g/mol, XLogP of -0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-3-morpholin-4-yl-N'-propylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 104885951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).