N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide

C17H33IN4 — CID 111153173

IUPACN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCC1CCN(C2CC2)C1)N1CC(C)CC(C)C1.I
InChIInChI=1S/C17H32N4.HI/c1-13-8-14(2)11-21(10-13)17(18-3)19-9-15-6-7-20(12-15)16-4-5-16;/h13-16H,4-12H2,1-3H3,(H,18,19);1H
InChIKeyNJLZWKLLNCYDOD-UHFFFAOYSA-N
MW420.38 g/mol
LogP2.64
Rot. Bonds3

About N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide

N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 111153173) has the molecular formula C17H33IN4 and a molecular weight of 420.38 g/mol. Its IUPAC name is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
PubChem CID111153173
Molecular FormulaC17H33IN4
Molecular Weight420.38 g/mol
Exact Mass420.17
IUPAC NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCC1CCN(C2CC2)C1)N1CC(C)CC(C)C1.I
InChIInChI=1S/C17H32N4.HI/c1-13-8-14(2)11-21(10-13)17(18-3)19-9-15-6-7-20(12-15)16-4-5-16;/h13-16H,4-12H2,1-3H3,(H,18,19);1H
InChIKeyNJLZWKLLNCYDOD-UHFFFAOYSA-N
XLogP2.64
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.38
LogP ≤ 52.64
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopropylmethyl)-N',3,5-trimethylpiperidine-1-carboximidamide
CID 111154391
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N'-methyl-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboximidamide;hydroiodide
CID 119144779
N',3,5-trimethyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111153844
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide
CID 111744934
3-benzyl-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111725310
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
CID 111153878
1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methyl-3-prop-2-enylguanidine
CID 110982011
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
CID 111742637
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-N',3,5-trimethylpiperidine-1-carboximidamide
CID 111153879
N'-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 110933532
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-N',3,5-trimethylpiperidine-1-carboximidamide
CID 111153437
1-(4-cyclopentylbutyl)-3-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methylguanidine;hydroiodide
CID 111608589

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide (CID 111153173) is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide is C/N=C(\NCC1CCN(C2CC2)C1)N1CC(C)CC(C)C1.I.
What is the InChIKey of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is NJLZWKLLNCYDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4.HI/c1-13-8-14(2)11-21(10-13)17(18-3)19-9-15-6-7-20(12-15)16-4-5-16;/h13-16H,4-12H2,1-3H3,(H,18,19);1H.
What are the key properties of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide?
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 420.38 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111153173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).