N-(cyclopropylmethyl)-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide;hydroiodide

C15H30IN3 — CID 111744010

IUPACN-(cyclopropylmethyl)-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide;hydroiodide
SMILESCCC(CC)C1CCN(/C(=N/C)NCC2CC2)C1.I
InChIInChI=1S/C15H29N3.HI/c1-4-13(5-2)14-8-9-18(11-14)15(16-3)17-10-12-6-7-12;/h12-14H,4-11H2,1-3H3,(H,16,17);1H
InChIKeyILTVLRNMUDSJRM-UHFFFAOYSA-N
MW379.33 g/mol
LogP3.35
Rot. Bonds5

About N-(cyclopropylmethyl)-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide;hydroiodide

N-(cyclopropylmethyl)-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 111744010) has the molecular formula C15H30IN3 and a molecular weight of 379.33 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide;hydroiodide
PubChem CID111744010
Molecular FormulaC15H30IN3
Molecular Weight379.33 g/mol
Exact Mass379.15
IUPAC NameN-(cyclopropylmethyl)-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide;hydroiodide
SMILESCCC(CC)C1CCN(/C(=N/C)NCC2CC2)C1.I
InChIInChI=1S/C15H29N3.HI/c1-4-13(5-2)14-8-9-18(11-14)15(16-3)17-10-12-6-7-12;/h12-14H,4-11H2,1-3H3,(H,16,17);1H
InChIKeyILTVLRNMUDSJRM-UHFFFAOYSA-N
XLogP3.35
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.33
LogP ≤ 53.35
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N'-methyl-3-pentan-3-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrrolidine-1-carboximidamide
CID 111743657
N-cyclopropyl-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide
CID 111743695
N-[2-(2-methoxyethoxy)ethyl]-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111744096
N-(5-methoxypentyl)-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide
CID 111743843
N-[4-(diethylamino)butyl]-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide
CID 111743821
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111744100
N-[3-(ethylsulfonylamino)propyl]-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111743928
N-(cyclopropylmethyl)-N',3,5-trimethylpiperidine-1-carboximidamide
CID 111154391
N'-methyl-3-pentan-3-yl-N-[(2,3,4-trimethoxyphenyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111743806
N-(cyclobutylmethyl)-4-hydroxy-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 75482169
N'-methyl-3-pentan-3-yl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111743750
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-(cyclopropylmethyl)-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-(cyclopropylmethyl)-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide;hydroiodide (CID 111744010) is N-(cyclopropylmethyl)-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-(cyclopropylmethyl)-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-(cyclopropylmethyl)-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide;hydroiodide is CCC(CC)C1CCN(/C(=N/C)NCC2CC2)C1.I.
What is the InChIKey of N-(cyclopropylmethyl)-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is ILTVLRNMUDSJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3.HI/c1-4-13(5-2)14-8-9-18(11-14)15(16-3)17-10-12-6-7-12;/h12-14H,4-11H2,1-3H3,(H,16,17);1H.
What are the key properties of N-(cyclopropylmethyl)-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide;hydroiodide?
N-(cyclopropylmethyl)-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 379.33 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111744010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).