N-amino-4-(methoxymethyl)-N'-methylpiperidine-1-carboximidamide

C9H20N4O — CID 104882225

IUPACN-amino-4-(methoxymethyl)-N'-methylpiperidine-1-carboximidamide
SMILESC/N=C(\NN)N1CCC(COC)CC1
InChIInChI=1S/C9H20N4O/c1-11-9(12-10)13-5-3-8(4-6-13)7-14-2/h8H,3-7,10H2,1-2H3,(H,11,12)
InChIKeyXGBZHUGBCRWDJZ-UHFFFAOYSA-N
MW200.29 g/mol
LogP-0.21
Rot. Bonds2

About N-amino-4-(methoxymethyl)-N'-methylpiperidine-1-carboximidamide

N-amino-4-(methoxymethyl)-N'-methylpiperidine-1-carboximidamide (PubChem CID 104882225) has the molecular formula C9H20N4O and a molecular weight of 200.29 g/mol. Its IUPAC name is N-amino-4-(methoxymethyl)-N'-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-4-(methoxymethyl)-N'-methylpiperidine-1-carboximidamide
PubChem CID104882225
Molecular FormulaC9H20N4O
Molecular Weight200.29 g/mol
Exact Mass200.16
IUPAC NameN-amino-4-(methoxymethyl)-N'-methylpiperidine-1-carboximidamide
SMILESC/N=C(\NN)N1CCC(COC)CC1
InChIInChI=1S/C9H20N4O/c1-11-9(12-10)13-5-3-8(4-6-13)7-14-2/h8H,3-7,10H2,1-2H3,(H,11,12)
InChIKeyXGBZHUGBCRWDJZ-UHFFFAOYSA-N
XLogP-0.21
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-amino-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide
CID 104882303
N-amino-4-ethyl-N'-methylpiperidine-1-carboximidamide
CID 104882168
N-amino-N'-cyclopentyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide
CID 104886953
N'-amino-4-(methoxymethyl)piperidine-1-carboximidamide
CID 77054109
3-(methoxymethyl)-N'-methyl-N-pentylpyrrolidine-1-carboximidamide;hydroiodide
CID 111737726
(3S)-N-amino-3-hydroxy-N'-methylpyrrolidine-1-carboximidamide
CID 89196877
3-(methoxymethyl)-N'-methyl-N-(4-methylpentyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111735582
N-[2-(diethylamino)ethyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111735948
N-[2-(azepan-1-yl)ethyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide
CID 111737757
N-[2-[di(propan-2-yl)amino]ethyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide
CID 111737403
N-[2-(azepan-1-yl)ethyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111737756
3-(methoxymethyl)-N'-methyl-N-(2-methylsulfonylethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 119143393

Frequently Asked Questions

What is the IUPAC name of N-amino-4-(methoxymethyl)-N'-methylpiperidine-1-carboximidamide?
The IUPAC name of N-amino-4-(methoxymethyl)-N'-methylpiperidine-1-carboximidamide (CID 104882225) is N-amino-4-(methoxymethyl)-N'-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N-amino-4-(methoxymethyl)-N'-methylpiperidine-1-carboximidamide?
The canonical SMILES for N-amino-4-(methoxymethyl)-N'-methylpiperidine-1-carboximidamide is C/N=C(\NN)N1CCC(COC)CC1.
What is the InChIKey of N-amino-4-(methoxymethyl)-N'-methylpiperidine-1-carboximidamide?
The InChIKey is XGBZHUGBCRWDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O/c1-11-9(12-10)13-5-3-8(4-6-13)7-14-2/h8H,3-7,10H2,1-2H3,(H,11,12).
What are the key properties of N-amino-4-(methoxymethyl)-N'-methylpiperidine-1-carboximidamide?
N-amino-4-(methoxymethyl)-N'-methylpiperidine-1-carboximidamide has a molecular weight of 200.29 g/mol, XLogP of -0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-4-(methoxymethyl)-N'-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 104882225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).