N'-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide

C15H27IN4O — CID 119143353

IUPACN'-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCc1cc(C)no1)N1CCC(CC(C)C)C1.I
InChIInChI=1S/C15H26N4O.HI/c1-11(2)7-13-5-6-19(10-13)15(16-4)17-9-14-8-12(3)18-20-14;/h8,11,13H,5-7,9-10H2,1-4H3,(H,16,17);1H
InChIKeyBGINDLSZMKUKMD-UHFFFAOYSA-N
MW406.31 g/mol
LogP3.04
Rot. Bonds4

About N'-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide

N'-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 119143353) has the molecular formula C15H27IN4O and a molecular weight of 406.31 g/mol. Its IUPAC name is N'-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
PubChem CID119143353
Molecular FormulaC15H27IN4O
Molecular Weight406.31 g/mol
Exact Mass406.12
IUPAC NameN'-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCc1cc(C)no1)N1CCC(CC(C)C)C1.I
InChIInChI=1S/C15H26N4O.HI/c1-11(2)7-13-5-6-19(10-13)15(16-4)17-9-14-8-12(3)18-20-14;/h8,11,13H,5-7,9-10H2,1-4H3,(H,16,17);1H
InChIKeyBGINDLSZMKUKMD-UHFFFAOYSA-N
XLogP3.04
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.31
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(2-methylphenyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 119142946
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111734110
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide
CID 111734891
N-[(6-methoxy-3-pyridinyl)methyl]-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111734238
N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 119159840
N'-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 119131911
N',3-dimethyl-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111510756
N-[(2-methoxy-3-pyridinyl)methyl]-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111734168
2-[[N-methyl-C-[3-(2-methylpropyl)pyrrolidin-1-yl]carbonimidoyl]amino]-N-phenylacetamide
CID 111734495
3-[[[N-methyl-C-[3-(2-methylpropyl)pyrrolidin-1-yl]carbonimidoyl]amino]methyl]-N-propylbenzamide;hydroiodide
CID 111734546
N'-methyl-3-(2-methylpropyl)-N-(oxolan-2-ylmethyl)pyrrolidine-1-carboximidamide
CID 111734647
N'-methyl-3-(2-methylpropyl)-N-(2-pyrazol-1-ylethyl)pyrrolidine-1-carboximidamide
CID 111734751

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide (CID 119143353) is N'-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide is C/N=C(\NCc1cc(C)no1)N1CCC(CC(C)C)C1.I.
What is the InChIKey of N'-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is BGINDLSZMKUKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O.HI/c1-11(2)7-13-5-6-19(10-13)15(16-4)17-9-14-8-12(3)18-20-14;/h8,11,13H,5-7,9-10H2,1-4H3,(H,16,17);1H.
What are the key properties of N'-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide?
N'-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 406.31 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 119143353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).