N-ethyl-4-methyl-N'-[2-[methyl(propan-2-yl)amino]ethyl]piperidine-1-carboximidamide;hydroiodide

C15H33IN4 — CID 111211328

IUPACN-ethyl-4-methyl-N'-[2-[methyl(propan-2-yl)amino]ethyl]piperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCN(C)C(C)C)N1CCC(C)CC1.I
InChIInChI=1S/C15H32N4.HI/c1-6-16-15(17-9-12-18(5)13(2)3)19-10-7-14(4)8-11-19;/h13-14H,6-12H2,1-5H3,(H,16,17);1H
InChIKeyWPDCJEHEPBRPNN-UHFFFAOYSA-N
MW396.36 g/mol
LogP2.64
Rot. Bonds5

About N-ethyl-4-methyl-N'-[2-[methyl(propan-2-yl)amino]ethyl]piperidine-1-carboximidamide;hydroiodide

N-ethyl-4-methyl-N'-[2-[methyl(propan-2-yl)amino]ethyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111211328) has the molecular formula C15H33IN4 and a molecular weight of 396.36 g/mol. Its IUPAC name is N-ethyl-4-methyl-N'-[2-[methyl(propan-2-yl)amino]ethyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-4-methyl-N'-[2-[methyl(propan-2-yl)amino]ethyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID111211328
Molecular FormulaC15H33IN4
Molecular Weight396.36 g/mol
Exact Mass396.17
IUPAC NameN-ethyl-4-methyl-N'-[2-[methyl(propan-2-yl)amino]ethyl]piperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCN(C)C(C)C)N1CCC(C)CC1.I
InChIInChI=1S/C15H32N4.HI/c1-6-16-15(17-9-12-18(5)13(2)3)19-10-7-14(4)8-11-19;/h13-14H,6-12H2,1-5H3,(H,16,17);1H
InChIKeyWPDCJEHEPBRPNN-UHFFFAOYSA-N
XLogP2.64
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.36
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-ethyl-N'-[2-[methyl(propan-2-yl)amino]ethyl]pyrrolidine-1-carboximidamide
CID 110956270
N-ethyl-N'-[2-[ethyl(methyl)amino]ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 111212030
N-ethyl-4-methyl-N'-propylpiperidine-1-carboximidamide
CID 111211579
N-ethyl-N'-(3-methoxypropyl)-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 111212086
methyl 1-[N-ethyl-N'-[4-[methyl(propan-2-yl)amino]butyl]carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111252282
methyl 1-[N'-[2-[butan-2-yl(methyl)amino]ethyl]-N-ethylcarbamimidoyl]piperidine-4-carboxylate
CID 111254457
N-ethyl-4-methyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide
CID 111983930
4-acetyl-N-ethyl-N'-[4-[methyl(propan-2-yl)amino]butyl]piperazine-1-carboximidamide;hydroiodide
CID 110963956
N'-[2-[butan-2-yl(methyl)amino]ethyl]-N-ethyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109426561
N-ethyl-4-methyl-N'-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111211580
N-ethyl-4-methyl-N'-[2-(1-methylpiperidin-4-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111212028
N'-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 111958492

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-N'-[2-[methyl(propan-2-yl)amino]ethyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-4-methyl-N'-[2-[methyl(propan-2-yl)amino]ethyl]piperidine-1-carboximidamide;hydroiodide (CID 111211328) is N-ethyl-4-methyl-N'-[2-[methyl(propan-2-yl)amino]ethyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-4-methyl-N'-[2-[methyl(propan-2-yl)amino]ethyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-4-methyl-N'-[2-[methyl(propan-2-yl)amino]ethyl]piperidine-1-carboximidamide;hydroiodide is CCN/C(=N\CCN(C)C(C)C)N1CCC(C)CC1.I.
What is the InChIKey of N-ethyl-4-methyl-N'-[2-[methyl(propan-2-yl)amino]ethyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is WPDCJEHEPBRPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4.HI/c1-6-16-15(17-9-12-18(5)13(2)3)19-10-7-14(4)8-11-19;/h13-14H,6-12H2,1-5H3,(H,16,17);1H.
What are the key properties of N-ethyl-4-methyl-N'-[2-[methyl(propan-2-yl)amino]ethyl]piperidine-1-carboximidamide;hydroiodide?
N-ethyl-4-methyl-N'-[2-[methyl(propan-2-yl)amino]ethyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 396.36 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-N'-[2-[methyl(propan-2-yl)amino]ethyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111211328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).