3-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]piperidine-1-carboximidamide

C13H26N4 — CID 111076809

IUPAC3-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]piperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/CC2CCCN2C)C1
InChIInChI=1S/C13H26N4/c1-11-5-3-8-17(10-11)13(14)15-9-12-6-4-7-16(12)2/h11-12H,3-10H2,1-2H3,(H2,14,15)
InChIKeyMYYHWRPJBAGZMA-UHFFFAOYSA-N
MW238.38 g/mol
LogP1.13
Rot. Bonds2

About 3-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]piperidine-1-carboximidamide

3-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]piperidine-1-carboximidamide (PubChem CID 111076809) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is 3-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]piperidine-1-carboximidamide.

Molecular Properties

Compound Name3-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]piperidine-1-carboximidamide
PubChem CID111076809
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Name3-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]piperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/CC2CCCN2C)C1
InChIInChI=1S/C13H26N4/c1-11-5-3-8-17(10-11)13(14)15-9-12-6-4-7-16(12)2/h11-12H,3-10H2,1-2H3,(H2,14,15)
InChIKeyMYYHWRPJBAGZMA-UHFFFAOYSA-N
XLogP1.13
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 51.13
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

4-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]piperidine-1-carboximidamide
CID 110921095
N'-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111098316
(3R)-N'-hydroxy-3-methylpiperidine-1-carboximidamide
CID 166099569
3-methyl-N'-[(4-methylmorpholin-2-yl)methyl]piperidine-1-carboximidamide
CID 111091304
N'-(3-hydroxy-2-methylpropyl)-3-methylpiperidine-1-carboximidamide
CID 111076526
N'-[(1-cyclopropylpiperidin-4-yl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 120581654
N'-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-3-methylpiperidine-1-carboximidamide
CID 122125675
(3R)-3-methyl-N'-(2-methylsulfanylethyl)piperidine-1-carboximidamide
CID 100673266
(3S)-N'-[[(2R)-1,1-dioxothian-2-yl]methyl]-3-methylpiperidine-1-carboximidamide
CID 99853971
N'-(3-methoxypropyl)-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 91642293
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

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]piperidine-1-carboximidamide?
The IUPAC name of 3-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]piperidine-1-carboximidamide (CID 111076809) is 3-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]piperidine-1-carboximidamide.
What is the SMILES notation for 3-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]piperidine-1-carboximidamide?
The canonical SMILES for 3-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]piperidine-1-carboximidamide is CC1CCCN(/C(N)=N/CC2CCCN2C)C1.
What is the InChIKey of 3-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]piperidine-1-carboximidamide?
The InChIKey is MYYHWRPJBAGZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-11-5-3-8-17(10-11)13(14)15-9-12-6-4-7-16(12)2/h11-12H,3-10H2,1-2H3,(H2,14,15).
What are the key properties of 3-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]piperidine-1-carboximidamide?
3-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]piperidine-1-carboximidamide has a molecular weight of 238.38 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111076809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).