N-amino-N'-cyclopentyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide

C12H24N4O — CID 104886953

IUPACN-amino-N'-cyclopentyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide
SMILESCOCC1CCN(/C(=N/C2CCCC2)NN)C1
InChIInChI=1S/C12H24N4O/c1-17-9-10-6-7-16(8-10)12(15-13)14-11-4-2-3-5-11/h10-11H,2-9,13H2,1H3,(H,14,15)
InChIKeyUQBNFJNTCCURBB-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.72
Rot. Bonds3

About N-amino-N'-cyclopentyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide

N-amino-N'-cyclopentyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide (PubChem CID 104886953) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is N-amino-N'-cyclopentyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-cyclopentyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide
PubChem CID104886953
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC NameN-amino-N'-cyclopentyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide
SMILESCOCC1CCN(/C(=N/C2CCCC2)NN)C1
InChIInChI=1S/C12H24N4O/c1-17-9-10-6-7-16(8-10)12(15-13)14-11-4-2-3-5-11/h10-11H,2-9,13H2,1H3,(H,14,15)
InChIKeyUQBNFJNTCCURBB-UHFFFAOYSA-N
XLogP0.72
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.72
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-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide
CID 104882303
N-amino-4-(methoxymethyl)-N'-methylpiperidine-1-carboximidamide
CID 104882225
N-amino-N'-cyclopropyl-3-methylpyrrolidine-1-carboximidamide
CID 104884388
N-ethyl-3-(methoxymethyl)-N'-[(2-methylcyclohexyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 119143385
N-amino-3-ethyl-N'-(2-methoxyethyl)pyrrolidine-1-carboximidamide
CID 104888422
N-ethyl-N'-(2-methoxyethyl)-3-(methoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111736890
N-amino-N'-cyclopentyl-4-cyclopropylpiperazine-1-carboximidamide
CID 104885662
N-amino-N'-cyclohexylthiomorpholine-4-carboximidamide
CID 104883434
N-amino-N'-cyclopentyl-4,4-dimethylazepane-1-carboximidamide
CID 104886543
N-[2-(azepan-1-yl)ethyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide
CID 111737757
N'-[3-(dimethylamino)-2,2-dimethylpropyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide
CID 111736523
N-ethyl-3-(methoxymethyl)-N'-prop-2-ynylpyrrolidine-1-carboximidamide;hydroiodide
CID 119143443

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-cyclopentyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide?
The IUPAC name of N-amino-N'-cyclopentyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide (CID 104886953) is N-amino-N'-cyclopentyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for N-amino-N'-cyclopentyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide?
The canonical SMILES for N-amino-N'-cyclopentyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide is COCC1CCN(/C(=N/C2CCCC2)NN)C1.
What is the InChIKey of N-amino-N'-cyclopentyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide?
The InChIKey is UQBNFJNTCCURBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-17-9-10-6-7-16(8-10)12(15-13)14-11-4-2-3-5-11/h10-11H,2-9,13H2,1H3,(H,14,15).
What are the key properties of N-amino-N'-cyclopentyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide?
N-amino-N'-cyclopentyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide has a molecular weight of 240.35 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cyclopentyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 104886953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).