N'-(2-methoxy-3,3-dimethylbutyl)piperidine-1-carboximidamide

C13H27N3O — CID 111757989

IUPACN'-(2-methoxy-3,3-dimethylbutyl)piperidine-1-carboximidamide
SMILESCOC(C/N=C(\N)N1CCCCC1)C(C)(C)C
InChIInChI=1S/C13H27N3O/c1-13(2,3)11(17-4)10-15-12(14)16-8-6-5-7-9-16/h11H,5-10H2,1-4H3,(H2,14,15)
InChIKeyDDYVAAZICKXPQC-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.85
Rot. Bonds3

About N'-(2-methoxy-3,3-dimethylbutyl)piperidine-1-carboximidamide

N'-(2-methoxy-3,3-dimethylbutyl)piperidine-1-carboximidamide (PubChem CID 111757989) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N'-(2-methoxy-3,3-dimethylbutyl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-(2-methoxy-3,3-dimethylbutyl)piperidine-1-carboximidamide
PubChem CID111757989
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN'-(2-methoxy-3,3-dimethylbutyl)piperidine-1-carboximidamide
SMILESCOC(C/N=C(\N)N1CCCCC1)C(C)(C)C
InChIInChI=1S/C13H27N3O/c1-13(2,3)11(17-4)10-15-12(14)16-8-6-5-7-9-16/h11H,5-10H2,1-4H3,(H2,14,15)
InChIKeyDDYVAAZICKXPQC-UHFFFAOYSA-N
XLogP1.85
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.85
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'}

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Related Compounds

N'-(2-methoxy-3,3-dimethylbutyl)morpholine-4-carboximidamide
CID 111757981
N'-(2-methoxy-3,3-dimethylbutyl)-2-methylmorpholine-4-carboximidamide
CID 120661582
N'-(2-methoxy-3,3-dimethylbutyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111757959
N'-(2-methoxy-3,3-dimethylbutyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111757958
N'-(2-methoxy-2-phenylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111043639
1-tert-butyl-2-(2-methoxy-3,3-dimethylbutyl)guanidine
CID 111757943
2-[[amino(piperidin-1-yl)methylidene]amino]-N-tert-butylacetamide
CID 111034623
N'-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]piperidine-1-carboximidamide
CID 111028952
N'-propylazocane-1-carboximidamide
CID 62361040
N'-methylazocane-1-carboximidamide
CID 62359325
N'-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)azetidine-1-carboximidamide
CID 122095587
N'-tert-butylazocane-1-carboximidamide
CID 62361042

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxy-3,3-dimethylbutyl)piperidine-1-carboximidamide?
The IUPAC name of N'-(2-methoxy-3,3-dimethylbutyl)piperidine-1-carboximidamide (CID 111757989) is N'-(2-methoxy-3,3-dimethylbutyl)piperidine-1-carboximidamide.
What is the SMILES notation for N'-(2-methoxy-3,3-dimethylbutyl)piperidine-1-carboximidamide?
The canonical SMILES for N'-(2-methoxy-3,3-dimethylbutyl)piperidine-1-carboximidamide is COC(C/N=C(\N)N1CCCCC1)C(C)(C)C.
What is the InChIKey of N'-(2-methoxy-3,3-dimethylbutyl)piperidine-1-carboximidamide?
The InChIKey is DDYVAAZICKXPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-13(2,3)11(17-4)10-15-12(14)16-8-6-5-7-9-16/h11H,5-10H2,1-4H3,(H2,14,15).
What are the key properties of N'-(2-methoxy-3,3-dimethylbutyl)piperidine-1-carboximidamide?
N'-(2-methoxy-3,3-dimethylbutyl)piperidine-1-carboximidamide has a molecular weight of 241.38 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxy-3,3-dimethylbutyl)piperidine-1-carboximidamide is sourced from PubChem (CID 111757989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).