N-(2-ethylbutyl)-N',3,3-trimethylpyrrolidine-1-carboximidamide

C14H29N3 — CID 111996231

IUPACN-(2-ethylbutyl)-N',3,3-trimethylpyrrolidine-1-carboximidamide
SMILESCCC(CC)CN/C(=N\C)N1CCC(C)(C)C1
InChIInChI=1S/C14H29N3/c1-6-12(7-2)10-16-13(15-5)17-9-8-14(3,4)11-17/h12H,6-11H2,1-5H3,(H,15,16)
InChIKeyUXZWZQRIRYQJSN-UHFFFAOYSA-N
MW239.41 g/mol
LogP2.73
Rot. Bonds4

About N-(2-ethylbutyl)-N',3,3-trimethylpyrrolidine-1-carboximidamide

N-(2-ethylbutyl)-N',3,3-trimethylpyrrolidine-1-carboximidamide (PubChem CID 111996231) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is N-(2-ethylbutyl)-N',3,3-trimethylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-(2-ethylbutyl)-N',3,3-trimethylpyrrolidine-1-carboximidamide
PubChem CID111996231
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC NameN-(2-ethylbutyl)-N',3,3-trimethylpyrrolidine-1-carboximidamide
SMILESCCC(CC)CN/C(=N\C)N1CCC(C)(C)C1
InChIInChI=1S/C14H29N3/c1-6-12(7-2)10-16-13(15-5)17-9-8-14(3,4)11-17/h12H,6-11H2,1-5H3,(H,15,16)
InChIKeyUXZWZQRIRYQJSN-UHFFFAOYSA-N
XLogP2.73
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

N-(2-ethylbutyl)-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide
CID 111996230
N-(2-ethylbutyl)-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111996150
N-(2-ethoxyethyl)-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide
CID 111738667
N-(2-ethylsulfonylethyl)-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide
CID 111740243
ethyl N-[1-[[C-(3,3-dimethylpyrrolidin-1-yl)-N-methylcarbonimidoyl]amino]-4-methylpentan-2-yl]carbamate
CID 111738314
N-[2-(4-ethylpiperazin-1-yl)ethyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide
CID 111739767
N-(3-ethoxypropyl)-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide
CID 111739025
N-[2-(dimethylamino)-2-methylpropyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide
CID 111739998
N',3,3-trimethyl-N-[2-(2-methylpropoxy)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111738685
N-benzyl-N',3,3-trimethylpyrrolidine-1-carboximidamide
CID 111738646
N-(2-ethylbutyl)-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111983728
N',3,3-trimethyl-N-(2-piperidin-1-ylethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111739653

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)-N',3,3-trimethylpyrrolidine-1-carboximidamide?
The IUPAC name of N-(2-ethylbutyl)-N',3,3-trimethylpyrrolidine-1-carboximidamide (CID 111996231) is N-(2-ethylbutyl)-N',3,3-trimethylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-(2-ethylbutyl)-N',3,3-trimethylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-(2-ethylbutyl)-N',3,3-trimethylpyrrolidine-1-carboximidamide is CCC(CC)CN/C(=N\C)N1CCC(C)(C)C1.
What is the InChIKey of N-(2-ethylbutyl)-N',3,3-trimethylpyrrolidine-1-carboximidamide?
The InChIKey is UXZWZQRIRYQJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-6-12(7-2)10-16-13(15-5)17-9-8-14(3,4)11-17/h12H,6-11H2,1-5H3,(H,15,16).
What are the key properties of N-(2-ethylbutyl)-N',3,3-trimethylpyrrolidine-1-carboximidamide?
N-(2-ethylbutyl)-N',3,3-trimethylpyrrolidine-1-carboximidamide has a molecular weight of 239.41 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)-N',3,3-trimethylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 111996231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).