N-ethyl-3-methyl-N'-[(1-methylpiperidin-3-yl)methyl]-3-propylpiperidine-1-carboximidamide;hydroiodide

C19H39IN4 — CID 109490325

IUPACN-ethyl-3-methyl-N'-[(1-methylpiperidin-3-yl)methyl]-3-propylpiperidine-1-carboximidamide;hydroiodide
SMILESCCCC1(C)CCCN(/C(=N/CC2CCCN(C)C2)NCC)C1.I
InChIInChI=1S/C19H38N4.HI/c1-5-10-19(3)11-8-13-23(16-19)18(20-6-2)21-14-17-9-7-12-22(4)15-17;/h17H,5-16H2,1-4H3,(H,20,21);1H
InChIKeyROIIKINILFZYIG-UHFFFAOYSA-N
MW450.45 g/mol
LogP3.81
Rot. Bonds5

About N-ethyl-3-methyl-N'-[(1-methylpiperidin-3-yl)methyl]-3-propylpiperidine-1-carboximidamide;hydroiodide

N-ethyl-3-methyl-N'-[(1-methylpiperidin-3-yl)methyl]-3-propylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 109490325) has the molecular formula C19H39IN4 and a molecular weight of 450.45 g/mol. Its IUPAC name is N-ethyl-3-methyl-N'-[(1-methylpiperidin-3-yl)methyl]-3-propylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-3-methyl-N'-[(1-methylpiperidin-3-yl)methyl]-3-propylpiperidine-1-carboximidamide;hydroiodide
PubChem CID109490325
Molecular FormulaC19H39IN4
Molecular Weight450.45 g/mol
Exact Mass450.22
IUPAC NameN-ethyl-3-methyl-N'-[(1-methylpiperidin-3-yl)methyl]-3-propylpiperidine-1-carboximidamide;hydroiodide
SMILESCCCC1(C)CCCN(/C(=N/CC2CCCN(C)C2)NCC)C1.I
InChIInChI=1S/C19H38N4.HI/c1-5-10-19(3)11-8-13-23(16-19)18(20-6-2)21-14-17-9-7-12-22(4)15-17;/h17H,5-16H2,1-4H3,(H,20,21);1H
InChIKeyROIIKINILFZYIG-UHFFFAOYSA-N
XLogP3.81
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.45
LogP ≤ 53.81
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'-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethyl-3-methyl-3-propylpiperidine-1-carboximidamide
CID 109490338
N',3-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490865
N-ethyl-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
CID 109490392
N-ethyl-3-methyl-N'-[2-(4-methylpiperazin-1-yl)propyl]-3-propylpiperidine-1-carboximidamide
CID 109490117
N-ethyl-N'-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methyl-3-propylpiperidine-1-carboximidamide
CID 109490488
N-ethyl-3-methyl-N'-[3-(oxan-4-yloxy)propyl]-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490911
N-ethyl-3-methyl-3-propyl-N'-(2-pyrazol-1-ylethyl)piperidine-1-carboximidamide
CID 109490782
N-ethyl-3-methyl-N'-(3-morpholin-4-ylpropyl)-3-propylpiperidine-1-carboximidamide
CID 109490860
N-ethyl-N'-[(3-hydroxythiolan-3-yl)methyl]-3-methyl-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490351
N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]-3-methyl-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490945
N-ethyl-N'-[2-(methanesulfonamido)-2-methylpropyl]-3-methyl-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490799
N-ethyl-3-methyl-3-propyl-N'-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-1-carboximidamide;hydroiodide
CID 109490677

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-N'-[(1-methylpiperidin-3-yl)methyl]-3-propylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-3-methyl-N'-[(1-methylpiperidin-3-yl)methyl]-3-propylpiperidine-1-carboximidamide;hydroiodide (CID 109490325) is N-ethyl-3-methyl-N'-[(1-methylpiperidin-3-yl)methyl]-3-propylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-3-methyl-N'-[(1-methylpiperidin-3-yl)methyl]-3-propylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-3-methyl-N'-[(1-methylpiperidin-3-yl)methyl]-3-propylpiperidine-1-carboximidamide;hydroiodide is CCCC1(C)CCCN(/C(=N/CC2CCCN(C)C2)NCC)C1.I.
What is the InChIKey of N-ethyl-3-methyl-N'-[(1-methylpiperidin-3-yl)methyl]-3-propylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is ROIIKINILFZYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N4.HI/c1-5-10-19(3)11-8-13-23(16-19)18(20-6-2)21-14-17-9-7-12-22(4)15-17;/h17H,5-16H2,1-4H3,(H,20,21);1H.
What are the key properties of N-ethyl-3-methyl-N'-[(1-methylpiperidin-3-yl)methyl]-3-propylpiperidine-1-carboximidamide;hydroiodide?
N-ethyl-3-methyl-N'-[(1-methylpiperidin-3-yl)methyl]-3-propylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 450.45 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-N'-[(1-methylpiperidin-3-yl)methyl]-3-propylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109490325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).