N-cyclopropyl-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide

C14H27N3 — CID 111743695

IUPACN-cyclopropyl-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide
SMILESCCC(CC)C1CCN(/C(=N\C)NC2CC2)C1
InChIInChI=1S/C14H27N3/c1-4-11(5-2)12-8-9-17(10-12)14(15-3)16-13-6-7-13/h11-13H,4-10H2,1-3H3,(H,15,16)
InChIKeyRNGIOBZZUVCYSJ-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.48
Rot. Bonds4

About N-cyclopropyl-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide

N-cyclopropyl-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide (PubChem CID 111743695) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is N-cyclopropyl-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-cyclopropyl-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide
PubChem CID111743695
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC NameN-cyclopropyl-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide
SMILESCCC(CC)C1CCN(/C(=N\C)NC2CC2)C1
InChIInChI=1S/C14H27N3/c1-4-11(5-2)12-8-9-17(10-12)14(15-3)16-13-6-7-13/h11-13H,4-10H2,1-3H3,(H,15,16)
InChIKeyRNGIOBZZUVCYSJ-UHFFFAOYSA-N
XLogP2.48
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.48
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-(cyclopropylmethyl)-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111744010
N-[4-(diethylamino)butyl]-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide
CID 111743821
N-(5-methoxypentyl)-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide
CID 111743843
N-cyclopropyl-N'-methylpyrrolidine-1-carboximidamide
CID 131225012
N-[2-(2-methoxyethoxy)ethyl]-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111744096
N-[3-(ethylsulfonylamino)propyl]-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111743928
N'-methyl-3-pentan-3-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrrolidine-1-carboximidamide
CID 111743657
N-cyclobutyl-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 119154085
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111744100
N-cyclobutyl-3-(ethoxymethyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 119154357
N-cyclopropyl-N'-methyl-3-phenylpyrrolidine-1-carboximidamide
CID 111722895
N-[(6-chloro-3-pyridinyl)methyl]-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111743714

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide?
The IUPAC name of N-cyclopropyl-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide (CID 111743695) is N-cyclopropyl-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-cyclopropyl-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-cyclopropyl-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide is CCC(CC)C1CCN(/C(=N\C)NC2CC2)C1.
What is the InChIKey of N-cyclopropyl-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide?
The InChIKey is RNGIOBZZUVCYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-4-11(5-2)12-8-9-17(10-12)14(15-3)16-13-6-7-13/h11-13H,4-10H2,1-3H3,(H,15,16).
What are the key properties of N-cyclopropyl-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide?
N-cyclopropyl-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide has a molecular weight of 237.39 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 111743695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).