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

C9H18N4O — CID 103542268

IUPACN-amino-N'-cyclopropyl-3-methoxypyrrolidine-1-carboximidamide
SMILESCOC1CCN(/C(=N/C2CC2)NN)C1
InChIInChI=1S/C9H18N4O/c1-14-8-4-5-13(6-8)9(12-10)11-7-2-3-7/h7-8H,2-6,10H2,1H3,(H,11,12)
InChIKeyWUVLJQOHGDMQSD-UHFFFAOYSA-N
MW198.27 g/mol
LogP-0.31
Rot. Bonds2

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

N-amino-N'-cyclopropyl-3-methoxypyrrolidine-1-carboximidamide (PubChem CID 103542268) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is N-amino-N'-cyclopropyl-3-methoxypyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-cyclopropyl-3-methoxypyrrolidine-1-carboximidamide
PubChem CID103542268
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC NameN-amino-N'-cyclopropyl-3-methoxypyrrolidine-1-carboximidamide
SMILESCOC1CCN(/C(=N/C2CC2)NN)C1
InChIInChI=1S/C9H18N4O/c1-14-8-4-5-13(6-8)9(12-10)11-7-2-3-7/h7-8H,2-6,10H2,1H3,(H,11,12)
InChIKeyWUVLJQOHGDMQSD-UHFFFAOYSA-N
XLogP-0.31
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.31
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'-cyclopropyl-3-methoxypyrrolidine-1-carboximidamide
CID 103534596
3-methoxy-N'-propan-2-ylpyrrolidine-1-carboximidamide
CID 103534600
N-amino-3-methoxy-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide
CID 103542261
N-amino-N'-cyclohexyl-3-methoxypyrrolidine-1-carboximidamide
CID 103542262
N-amino-3-methoxy-N'-(3-methoxypropyl)pyrrolidine-1-carboximidamide
CID 103542263
N-amino-3-methoxy-N'-propan-2-ylpyrrolidine-1-carboximidamide
CID 103542264
N-amino-3-methoxy-N'-propylpyrrolidine-1-carboximidamide
CID 103542265
N-amino-3-methoxy-N'-methylpyrrolidine-1-carboximidamide
CID 103542266
N-amino-3-methoxy-N'-(2-methoxyethyl)pyrrolidine-1-carboximidamide
CID 103542267
N-amino-N'-(3-ethoxypropyl)-3-methoxypyrrolidine-1-carboximidamide
CID 103542269
N-amino-3-methoxy-N'-(1-methoxypropan-2-yl)pyrrolidine-1-carboximidamide
CID 103542270
N-amino-N'-butyl-3-methoxypyrrolidine-1-carboximidamide
CID 103542271

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-cyclopropyl-3-methoxypyrrolidine-1-carboximidamide?
The IUPAC name of N-amino-N'-cyclopropyl-3-methoxypyrrolidine-1-carboximidamide (CID 103542268) is N-amino-N'-cyclopropyl-3-methoxypyrrolidine-1-carboximidamide.
What is the SMILES notation for N-amino-N'-cyclopropyl-3-methoxypyrrolidine-1-carboximidamide?
The canonical SMILES for N-amino-N'-cyclopropyl-3-methoxypyrrolidine-1-carboximidamide is COC1CCN(/C(=N/C2CC2)NN)C1.
What is the InChIKey of N-amino-N'-cyclopropyl-3-methoxypyrrolidine-1-carboximidamide?
The InChIKey is WUVLJQOHGDMQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-14-8-4-5-13(6-8)9(12-10)11-7-2-3-7/h7-8H,2-6,10H2,1H3,(H,11,12).
What are the key properties of N-amino-N'-cyclopropyl-3-methoxypyrrolidine-1-carboximidamide?
N-amino-N'-cyclopropyl-3-methoxypyrrolidine-1-carboximidamide has a molecular weight of 198.27 g/mol, XLogP of -0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cyclopropyl-3-methoxypyrrolidine-1-carboximidamide is sourced from PubChem (CID 103542268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).