N',3-dimethyl-N-[2-(3-methylbutoxy)ethyl]piperidine-1-carboximidamide;hydroiodide

C15H32IN3O — CID 111145605

IUPACN',3-dimethyl-N-[2-(3-methylbutoxy)ethyl]piperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCOCCC(C)C)N1CCCC(C)C1.I
InChIInChI=1S/C15H31N3O.HI/c1-13(2)7-10-19-11-8-17-15(16-4)18-9-5-6-14(3)12-18;/h13-14H,5-12H2,1-4H3,(H,16,17);1H
InChIKeyONLGDENAWQIWEF-UHFFFAOYSA-N
MW397.35 g/mol
LogP2.97
Rot. Bonds6

About N',3-dimethyl-N-[2-(3-methylbutoxy)ethyl]piperidine-1-carboximidamide;hydroiodide

N',3-dimethyl-N-[2-(3-methylbutoxy)ethyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111145605) has the molecular formula C15H32IN3O and a molecular weight of 397.35 g/mol. Its IUPAC name is N',3-dimethyl-N-[2-(3-methylbutoxy)ethyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN',3-dimethyl-N-[2-(3-methylbutoxy)ethyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID111145605
Molecular FormulaC15H32IN3O
Molecular Weight397.35 g/mol
Exact Mass397.16
IUPAC NameN',3-dimethyl-N-[2-(3-methylbutoxy)ethyl]piperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCOCCC(C)C)N1CCCC(C)C1.I
InChIInChI=1S/C15H31N3O.HI/c1-13(2)7-10-19-11-8-17-15(16-4)18-9-5-6-14(3)12-18;/h13-14H,5-12H2,1-4H3,(H,16,17);1H
InChIKeyONLGDENAWQIWEF-UHFFFAOYSA-N
XLogP2.97
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[2-(2-butoxyethoxy)ethyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111499230
N-[4-(2-methoxyethoxy)butyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111145255
N',3-dimethyl-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-1-carboximidamide;hydroiodide
CID 111143715
N'-methyl-N-[2-(3-methylbutoxy)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111733004
methyl 3-[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]propanoate
CID 111145348
methyl 2-methyl-3-[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]propanoate;hydroiodide
CID 111144955
N-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111144043
4-(2-hydroxyphenyl)-N'-methyl-N-[2-(3-methylbutoxy)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111185927
N-(2-ethylbutyl)-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111983728
N',3-dimethyl-N-(4-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide;hydroiodide
CID 111145115
2-methyl-1-[2-(3-methylbutoxy)ethyl]-3-[3-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111387829
N-[2-(2-methoxyethoxy)ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
CID 111153374

Frequently Asked Questions

What is the IUPAC name of N',3-dimethyl-N-[2-(3-methylbutoxy)ethyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N',3-dimethyl-N-[2-(3-methylbutoxy)ethyl]piperidine-1-carboximidamide;hydroiodide (CID 111145605) is N',3-dimethyl-N-[2-(3-methylbutoxy)ethyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N',3-dimethyl-N-[2-(3-methylbutoxy)ethyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N',3-dimethyl-N-[2-(3-methylbutoxy)ethyl]piperidine-1-carboximidamide;hydroiodide is C/N=C(\NCCOCCC(C)C)N1CCCC(C)C1.I.
What is the InChIKey of N',3-dimethyl-N-[2-(3-methylbutoxy)ethyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is ONLGDENAWQIWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O.HI/c1-13(2)7-10-19-11-8-17-15(16-4)18-9-5-6-14(3)12-18;/h13-14H,5-12H2,1-4H3,(H,16,17);1H.
What are the key properties of N',3-dimethyl-N-[2-(3-methylbutoxy)ethyl]piperidine-1-carboximidamide;hydroiodide?
N',3-dimethyl-N-[2-(3-methylbutoxy)ethyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 397.35 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',3-dimethyl-N-[2-(3-methylbutoxy)ethyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111145605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).