N'-tert-butyl-3-methoxypyrrolidine-1-carboximidamide

C10H21N3O — CID 103534604

IUPACN'-tert-butyl-3-methoxypyrrolidine-1-carboximidamide
SMILESCOC1CCN(/C(N)=N/C(C)(C)C)C1
InChIInChI=1S/C10H21N3O/c1-10(2,3)12-9(11)13-6-5-8(7-13)14-4/h8H,5-7H2,1-4H3,(H2,11,12)
InChIKeyLMBVSAFEFCWECS-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.82
Rot. Bonds1

About N'-tert-butyl-3-methoxypyrrolidine-1-carboximidamide

N'-tert-butyl-3-methoxypyrrolidine-1-carboximidamide (PubChem CID 103534604) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is N'-tert-butyl-3-methoxypyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-tert-butyl-3-methoxypyrrolidine-1-carboximidamide
PubChem CID103534604
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC NameN'-tert-butyl-3-methoxypyrrolidine-1-carboximidamide
SMILESCOC1CCN(/C(N)=N/C(C)(C)C)C1
InChIInChI=1S/C10H21N3O/c1-10(2,3)12-9(11)13-6-5-8(7-13)14-4/h8H,5-7H2,1-4H3,(H2,11,12)
InChIKeyLMBVSAFEFCWECS-UHFFFAOYSA-N
XLogP0.82
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.82
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

(3S)-3-[(2-methylpropan-2-yl)oxy]pyrrolidine-1-carboximidamide
CID 117981667
3-methoxy-N'-methyl-N-methylidenepyrrolidine-1-carboximidamide
CID 123840537
N-(2-methoxypropyl)-N'-methylpyrrolidine-1-carboximidamide
CID 137434806
2-Tert-butyl-1-(2-methoxyethyl)-1-(3-methoxypropyl)guanidine
CID 62362350
N'-tert-butyl-2-ethylmorpholine-4-carboximidamide
CID 62364085
N'-tert-butyl-2-methyl-1,4-oxazepane-4-carboximidamide
CID 62972078
2-Tert-butyl-1-methyl-1-(oxolan-3-yl)guanidine
CID 78967159
5-(methoxymethyl)-5-methyl-1-(2-methylpropyl)-4H-imidazol-2-amine
CID 79497499
5-ethyl-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine
CID 79505537
1-ethyl-5-(methoxymethyl)-5-methyl-4H-imidazol-2-amine
CID 79509606
1,5-diethyl-5-(methoxymethyl)-4H-imidazol-2-amine
CID 79509609
5-(methoxymethyl)-5-methyl-1-propyl-4H-imidazol-2-amine
CID 79510404

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-3-methoxypyrrolidine-1-carboximidamide?
The IUPAC name of N'-tert-butyl-3-methoxypyrrolidine-1-carboximidamide (CID 103534604) is N'-tert-butyl-3-methoxypyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-tert-butyl-3-methoxypyrrolidine-1-carboximidamide?
The canonical SMILES for N'-tert-butyl-3-methoxypyrrolidine-1-carboximidamide is COC1CCN(/C(N)=N/C(C)(C)C)C1.
What is the InChIKey of N'-tert-butyl-3-methoxypyrrolidine-1-carboximidamide?
The InChIKey is LMBVSAFEFCWECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-10(2,3)12-9(11)13-6-5-8(7-13)14-4/h8H,5-7H2,1-4H3,(H2,11,12).
What are the key properties of N'-tert-butyl-3-methoxypyrrolidine-1-carboximidamide?
N'-tert-butyl-3-methoxypyrrolidine-1-carboximidamide has a molecular weight of 199.30 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-3-methoxypyrrolidine-1-carboximidamide is sourced from PubChem (CID 103534604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).