N'-[2-(diethylamino)ethyl]-3-methylpiperidine-1-carboximidamide

C13H28N4 — CID 111022707

IUPACN'-[2-(diethylamino)ethyl]-3-methylpiperidine-1-carboximidamide
SMILESCCN(CC)CC/N=C(\N)N1CCCC(C)C1
InChIInChI=1S/C13H28N4/c1-4-16(5-2)10-8-15-13(14)17-9-6-7-12(3)11-17/h12H,4-11H2,1-3H3,(H2,14,15)
InChIKeyRGLJWAPNYWZRNO-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.37
Rot. Bonds5

About N'-[2-(diethylamino)ethyl]-3-methylpiperidine-1-carboximidamide

N'-[2-(diethylamino)ethyl]-3-methylpiperidine-1-carboximidamide (PubChem CID 111022707) has the molecular formula C13H28N4 and a molecular weight of 240.39 g/mol. Its IUPAC name is N'-[2-(diethylamino)ethyl]-3-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-(diethylamino)ethyl]-3-methylpiperidine-1-carboximidamide
PubChem CID111022707
Molecular FormulaC13H28N4
Molecular Weight240.39 g/mol
Exact Mass240.23
IUPAC NameN'-[2-(diethylamino)ethyl]-3-methylpiperidine-1-carboximidamide
SMILESCCN(CC)CC/N=C(\N)N1CCCC(C)C1
InChIInChI=1S/C13H28N4/c1-4-16(5-2)10-8-15-13(14)17-9-6-7-12(3)11-17/h12H,4-11H2,1-3H3,(H2,14,15)
InChIKeyRGLJWAPNYWZRNO-UHFFFAOYSA-N
XLogP1.37
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.37
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'-[4-(diethylamino)butyl]-3-methylpiperidine-1-carboximidamide
CID 111060005
N'-[7-(dimethylamino)heptyl]-3-methylpiperidine-1-carboximidamide
CID 111084919
(3R)-3-methyl-N'-(2-methylsulfanylethyl)piperidine-1-carboximidamide
CID 100673266
3-methyl-N'-[2-(N-methylanilino)ethyl]piperidine-1-carboximidamide
CID 111037466
N'-[2-(diethylamino)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 111022667
3-methyl-N'-[4-(3-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide
CID 111060279
3-methyl-N'-[3-(4-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide
CID 111034873
N'-(3-methoxypropyl)-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 91642293
N'-[[2-(diethylaminomethyl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111036311
N'-[2-(diethylamino)ethyl]thiomorpholine-4-carboximidamide
CID 111022719
3-methyl-N'-(3-methyl-2-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide
CID 111042541
N'-(2-tert-butylsulfanylethyl)-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 119119004

Frequently Asked Questions

What is the IUPAC name of N'-[2-(diethylamino)ethyl]-3-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-[2-(diethylamino)ethyl]-3-methylpiperidine-1-carboximidamide (CID 111022707) is N'-[2-(diethylamino)ethyl]-3-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[2-(diethylamino)ethyl]-3-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[2-(diethylamino)ethyl]-3-methylpiperidine-1-carboximidamide is CCN(CC)CC/N=C(\N)N1CCCC(C)C1.
What is the InChIKey of N'-[2-(diethylamino)ethyl]-3-methylpiperidine-1-carboximidamide?
The InChIKey is RGLJWAPNYWZRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4/c1-4-16(5-2)10-8-15-13(14)17-9-6-7-12(3)11-17/h12H,4-11H2,1-3H3,(H2,14,15).
What are the key properties of N'-[2-(diethylamino)ethyl]-3-methylpiperidine-1-carboximidamide?
N'-[2-(diethylamino)ethyl]-3-methylpiperidine-1-carboximidamide has a molecular weight of 240.39 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(diethylamino)ethyl]-3-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 111022707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).