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

C9H17N3O — CID 103534596

IUPACN'-cyclopropyl-3-methoxypyrrolidine-1-carboximidamide
SMILESCOC1CCN(/C(N)=N/C2CC2)C1
InChIInChI=1S/C9H17N3O/c1-13-8-4-5-12(6-8)9(10)11-7-2-3-7/h7-8H,2-6H2,1H3,(H2,10,11)
InChIKeyDJIURAWPTPUGHB-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.18
Rot. Bonds2

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

N'-cyclopropyl-3-methoxypyrrolidine-1-carboximidamide (PubChem CID 103534596) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is N'-cyclopropyl-3-methoxypyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-cyclopropyl-3-methoxypyrrolidine-1-carboximidamide
PubChem CID103534596
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC NameN'-cyclopropyl-3-methoxypyrrolidine-1-carboximidamide
SMILESCOC1CCN(/C(N)=N/C2CC2)C1
InChIInChI=1S/C9H17N3O/c1-13-8-4-5-12(6-8)9(10)11-7-2-3-7/h7-8H,2-6H2,1H3,(H2,10,11)
InChIKeyDJIURAWPTPUGHB-UHFFFAOYSA-N
XLogP0.18
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-N'-methyl-N-methylidenepyrrolidine-1-carboximidamide
CID 123840537
(4R,5S)-N,3-dibutyl-4,5-dimethyl-1,3-oxazolidin-2-imine
CID 14868427
(4R,5R)-N,3-dibutyl-4,5-dimethyl-1,3-oxazolidin-2-imine
CID 14868428
(4S,5S)-N,3-dibutyl-4,5-dimethyl-1,3-oxazolidin-2-imine
CID 21779900
1-Cyclopropyl-1-(2-methoxyethyl)-2-methylguanidine
CID 62360431
2-Cyclopropyl-1-(2-methoxyethyl)-1-pentan-3-ylguanidine
CID 62361474
2-Cyclopentyl-1-cyclopropyl-1-(2-methoxyethyl)guanidine
CID 62362079
2-Cyclopropyl-1-(2-methoxyethyl)-1-(3-methoxypropyl)guanidine
CID 62362349
1-Cyclopropyl-2-ethyl-1-(2-methoxyethyl)guanidine
CID 62362795
1-Cyclopropyl-1-(2-methoxyethyl)-2-propylguanidine
CID 62362796
1-Cyclopropyl-1-(2-methoxyethyl)-2-propan-2-ylguanidine
CID 62362797
1-Butan-2-yl-2-cyclopropyl-1-(2-methoxyethyl)guanidine
CID 62363020

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-3-methoxypyrrolidine-1-carboximidamide?
The IUPAC name of N'-cyclopropyl-3-methoxypyrrolidine-1-carboximidamide (CID 103534596) is N'-cyclopropyl-3-methoxypyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-cyclopropyl-3-methoxypyrrolidine-1-carboximidamide?
The canonical SMILES for N'-cyclopropyl-3-methoxypyrrolidine-1-carboximidamide is COC1CCN(/C(N)=N/C2CC2)C1.
What is the InChIKey of N'-cyclopropyl-3-methoxypyrrolidine-1-carboximidamide?
The InChIKey is DJIURAWPTPUGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-13-8-4-5-12(6-8)9(10)11-7-2-3-7/h7-8H,2-6H2,1H3,(H2,10,11).
What are the key properties of N'-cyclopropyl-3-methoxypyrrolidine-1-carboximidamide?
N'-cyclopropyl-3-methoxypyrrolidine-1-carboximidamide has a molecular weight of 183.25 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-3-methoxypyrrolidine-1-carboximidamide is sourced from PubChem (CID 103534596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).