N'-amino-3-methoxypyrrolidine-1-carboximidamide

C6H14N4O — CID 103534601

IUPACN'-amino-3-methoxypyrrolidine-1-carboximidamide
SMILESCOC1CCN(C(N)=NN)C1
InChIInChI=1S/C6H14N4O/c1-11-5-2-3-10(4-5)6(7)9-8/h5H,2-4,8H2,1H3,(H2,7,9)
InChIKeyXEGLXFUAYFTLHW-UHFFFAOYSA-N
MW158.20 g/mol
LogP-1.10
Rot. Bonds1

About N'-amino-3-methoxypyrrolidine-1-carboximidamide

N'-amino-3-methoxypyrrolidine-1-carboximidamide (PubChem CID 103534601) has the molecular formula C6H14N4O and a molecular weight of 158.20 g/mol. Its IUPAC name is N'-amino-3-methoxypyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-amino-3-methoxypyrrolidine-1-carboximidamide
PubChem CID103534601
Molecular FormulaC6H14N4O
Molecular Weight158.20 g/mol
Exact Mass158.12
IUPAC NameN'-amino-3-methoxypyrrolidine-1-carboximidamide
SMILESCOC1CCN(C(N)=NN)C1
InChIInChI=1S/C6H14N4O/c1-11-5-2-3-10(4-5)6(7)9-8/h5H,2-4,8H2,1H3,(H2,7,9)
InChIKeyXEGLXFUAYFTLHW-UHFFFAOYSA-N
XLogP-1.10
TPSA76.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-1.10
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

N'-amino-3-hydroxypyrrolidine-1-carboximidamide
CID 57590580
N'-amino-3-hydroxypyrrolidine-1-carboximidamide
CID 76612338
(3S)-3-methoxypyrrolidine-1-carboximidamide
CID 89794542
(3R)-3-methoxypyrrolidine-1-carboximidamide
CID 89794543
2-Imino-5-methyl-1,3-oxazolidine-3-carboximidamide
CID 55290778
3-methoxy-N'-methylpyrrolidine-1-carboximidamide
CID 103534592
N-(diaminomethylidene)-3-methoxypyrrolidine-1-carboximidamide
CID 103534594
3-methoxy-N'-propylpyrrolidine-1-carboximidamide
CID 103534595
N'-ethyl-3-methoxypyrrolidine-1-carboximidamide
CID 103534599
3-Methoxypyrrolidine-1-carboximidamide
CID 103534603
N'-amino-3,4-dimethoxypyrrolidine-1-carboximidamide
CID 103534614
3,4-Dimethoxypyrrolidine-1-carboximidamide
CID 103534615

Frequently Asked Questions

What is the IUPAC name of N'-amino-3-methoxypyrrolidine-1-carboximidamide?
The IUPAC name of N'-amino-3-methoxypyrrolidine-1-carboximidamide (CID 103534601) is N'-amino-3-methoxypyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-amino-3-methoxypyrrolidine-1-carboximidamide?
The canonical SMILES for N'-amino-3-methoxypyrrolidine-1-carboximidamide is COC1CCN(C(N)=NN)C1.
What is the InChIKey of N'-amino-3-methoxypyrrolidine-1-carboximidamide?
The InChIKey is XEGLXFUAYFTLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4O/c1-11-5-2-3-10(4-5)6(7)9-8/h5H,2-4,8H2,1H3,(H2,7,9).
What are the key properties of N'-amino-3-methoxypyrrolidine-1-carboximidamide?
N'-amino-3-methoxypyrrolidine-1-carboximidamide has a molecular weight of 158.20 g/mol, XLogP of -1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-3-methoxypyrrolidine-1-carboximidamide is sourced from PubChem (CID 103534601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).