3-imino-2-methylpiperidine-1-carboximidamide;hydrochloride

C7H15ClN4 — CID 175361652

IUPAC3-imino-2-methylpiperidine-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C1\CCCN(/C(N)=N/[H])C1C
InChIInChI=1S/C7H14N4.ClH/c1-5-6(8)3-2-4-11(5)7(9)10;/h5,8H,2-4H2,1H3,(H3,9,10);1H/b8-6+;
InChIKeyIEYYUGZMQXMUDZ-WVLIHFOGSA-N
MW190.68 g/mol
LogP0.81
Rot. Bonds

About 3-imino-2-methylpiperidine-1-carboximidamide;hydrochloride

3-imino-2-methylpiperidine-1-carboximidamide;hydrochloride (PubChem CID 175361652) has the molecular formula C7H15ClN4 and a molecular weight of 190.68 g/mol. Its IUPAC name is 3-imino-2-methylpiperidine-1-carboximidamide;hydrochloride.

Molecular Properties

Compound Name3-imino-2-methylpiperidine-1-carboximidamide;hydrochloride
PubChem CID175361652
Molecular FormulaC7H15ClN4
Molecular Weight190.68 g/mol
Exact Mass190.10
IUPAC Name3-imino-2-methylpiperidine-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C1\CCCN(/C(N)=N/[H])C1C
InChIInChI=1S/C7H14N4.ClH/c1-5-6(8)3-2-4-11(5)7(9)10;/h5,8H,2-4H2,1H3,(H3,9,10);1H/b8-6+;
InChIKeyIEYYUGZMQXMUDZ-WVLIHFOGSA-N
XLogP0.81
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.68
LogP ≤ 50.81
H-Bond Donors ≤ 53
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

2-methylpyrrolidine-1-carboximidamide
CID 60974504
(2R)-2-methylazetidine-1-carboximidamide
CID 146189041
(2S)-2-[(1R)-1-hydroxyethyl]pyrrolidine-1-carboximidamide
CID 129495358
2-(1-aminoethyl)piperidine-1-carboximidamide
CID 18663754
2-(hydroxymethyl)pyrrolidine-1-carboximidamide
CID 18435489
(2S)-2-(hydroxymethyl)piperidine-1-carboximidamide
CID 129496372
(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboximidamide;hydrobromide
CID 122163422
2-(hydroxymethyl)piperidine-1-carboximidamide
CID 121201331
2-methylideneazetidine-1-carboximidamide
CID 118492858
1-methyl-1,3-dihydroisoindole-2-carboximidamide
CID 175465604
3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide;hydrochloride
CID 122163365
2-oxoazetidine-1-carboximidamide
CID 118484842

Frequently Asked Questions

What is the IUPAC name of 3-imino-2-methylpiperidine-1-carboximidamide;hydrochloride?
The IUPAC name of 3-imino-2-methylpiperidine-1-carboximidamide;hydrochloride (CID 175361652) is 3-imino-2-methylpiperidine-1-carboximidamide;hydrochloride.
What is the SMILES notation for 3-imino-2-methylpiperidine-1-carboximidamide;hydrochloride?
The canonical SMILES for 3-imino-2-methylpiperidine-1-carboximidamide;hydrochloride is Cl.[H]/N=C1\CCCN(/C(N)=N/[H])C1C.
What is the InChIKey of 3-imino-2-methylpiperidine-1-carboximidamide;hydrochloride?
The InChIKey is IEYYUGZMQXMUDZ-WVLIHFOGSA-N. The full InChI is InChI=1S/C7H14N4.ClH/c1-5-6(8)3-2-4-11(5)7(9)10;/h5,8H,2-4H2,1H3,(H3,9,10);1H/b8-6+;.
What are the key properties of 3-imino-2-methylpiperidine-1-carboximidamide;hydrochloride?
3-imino-2-methylpiperidine-1-carboximidamide;hydrochloride has a molecular weight of 190.68 g/mol, XLogP of 0.81, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-2-methylpiperidine-1-carboximidamide;hydrochloride is sourced from PubChem (CID 175361652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).