N-(3-butoxypropyl)-N',4-dimethylpiperidine-1-carboximidamide

C15H31N3O — CID 111210317

IUPACN-(3-butoxypropyl)-N',4-dimethylpiperidine-1-carboximidamide
SMILESCCCCOCCCN/C(=N\C)N1CCC(C)CC1
InChIInChI=1S/C15H31N3O/c1-4-5-12-19-13-6-9-17-15(16-3)18-10-7-14(2)8-11-18/h14H,4-13H2,1-3H3,(H,16,17)
InChIKeyKZSNFMLHWUATKJ-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.50
Rot. Bonds7

About N-(3-butoxypropyl)-N',4-dimethylpiperidine-1-carboximidamide

N-(3-butoxypropyl)-N',4-dimethylpiperidine-1-carboximidamide (PubChem CID 111210317) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is N-(3-butoxypropyl)-N',4-dimethylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-(3-butoxypropyl)-N',4-dimethylpiperidine-1-carboximidamide
PubChem CID111210317
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC NameN-(3-butoxypropyl)-N',4-dimethylpiperidine-1-carboximidamide
SMILESCCCCOCCCN/C(=N\C)N1CCC(C)CC1
InChIInChI=1S/C15H31N3O/c1-4-5-12-19-13-6-9-17-15(16-3)18-10-7-14(2)8-11-18/h14H,4-13H2,1-3H3,(H,16,17)
InChIKeyKZSNFMLHWUATKJ-UHFFFAOYSA-N
XLogP2.50
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.50
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'}

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Related Compounds

N',4-dimethyl-N-pentylpiperidine-1-carboximidamide;hydroiodide
CID 111210302
ethyl 4-[N-(3-butoxypropyl)-N'-methylcarbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111163796
N-(2-methoxyethyl)-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111211562
N-[2-(2-butoxyethoxy)ethyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111499230
methyl 1-[N'-methyl-N-(3-octoxypropyl)carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111252452
N',4-dimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111211910
3-(methoxymethyl)-N'-methyl-N-(3-octoxypropyl)pyrrolidine-1-carboximidamide
CID 111735103
N',4-dimethyl-N-[2-(2-methylsulfonylethoxy)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111512533
N',4-dimethyl-N-[4-(4-methylphenoxy)butyl]piperidine-1-carboximidamide;hydroiodide
CID 111212024
N',4-dimethyl-N-(3-methylsulfonylpropyl)piperidine-1-carboximidamide
CID 111211139
N-(2-ethylsulfonylethyl)-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111210016
N-(4-ethoxybutyl)-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
CID 111154220

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)-N',4-dimethylpiperidine-1-carboximidamide?
The IUPAC name of N-(3-butoxypropyl)-N',4-dimethylpiperidine-1-carboximidamide (CID 111210317) is N-(3-butoxypropyl)-N',4-dimethylpiperidine-1-carboximidamide.
What is the SMILES notation for N-(3-butoxypropyl)-N',4-dimethylpiperidine-1-carboximidamide?
The canonical SMILES for N-(3-butoxypropyl)-N',4-dimethylpiperidine-1-carboximidamide is CCCCOCCCN/C(=N\C)N1CCC(C)CC1.
What is the InChIKey of N-(3-butoxypropyl)-N',4-dimethylpiperidine-1-carboximidamide?
The InChIKey is KZSNFMLHWUATKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-4-5-12-19-13-6-9-17-15(16-3)18-10-7-14(2)8-11-18/h14H,4-13H2,1-3H3,(H,16,17).
What are the key properties of N-(3-butoxypropyl)-N',4-dimethylpiperidine-1-carboximidamide?
N-(3-butoxypropyl)-N',4-dimethylpiperidine-1-carboximidamide has a molecular weight of 269.43 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-N',4-dimethylpiperidine-1-carboximidamide is sourced from PubChem (CID 111210317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).