3-(methylaminomethyl)piperidine-1-carboximidamide

C8H18N4 — CID 19082937

IUPAC3-(methylaminomethyl)piperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCCC(CNC)C1
InChIInChI=1S/C8H18N4/c1-11-5-7-3-2-4-12(6-7)8(9)10/h7,11H,2-6H2,1H3,(H3,9,10)
InChIKeyMFGYIGOBJYBZFB-UHFFFAOYSA-N
MW170.26 g/mol
LogP-0.19
Rot. Bonds2

About 3-(methylaminomethyl)piperidine-1-carboximidamide

3-(methylaminomethyl)piperidine-1-carboximidamide (PubChem CID 19082937) has the molecular formula C8H18N4 and a molecular weight of 170.26 g/mol. Its IUPAC name is 3-(methylaminomethyl)piperidine-1-carboximidamide.

Molecular Properties

Compound Name3-(methylaminomethyl)piperidine-1-carboximidamide
PubChem CID19082937
Molecular FormulaC8H18N4
Molecular Weight170.26 g/mol
Exact Mass170.15
IUPAC Name3-(methylaminomethyl)piperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCCC(CNC)C1
InChIInChI=1S/C8H18N4/c1-11-5-7-3-2-4-12(6-7)8(9)10/h7,11H,2-6H2,1H3,(H3,9,10)
InChIKeyMFGYIGOBJYBZFB-UHFFFAOYSA-N
XLogP-0.19
TPSA65.14 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 5-0.19
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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Frequently Asked Questions

What is the IUPAC name of 3-(methylaminomethyl)piperidine-1-carboximidamide?
The IUPAC name of 3-(methylaminomethyl)piperidine-1-carboximidamide (CID 19082937) is 3-(methylaminomethyl)piperidine-1-carboximidamide.
What is the SMILES notation for 3-(methylaminomethyl)piperidine-1-carboximidamide?
The canonical SMILES for 3-(methylaminomethyl)piperidine-1-carboximidamide is [H]/N=C(\N)N1CCCC(CNC)C1.
What is the InChIKey of 3-(methylaminomethyl)piperidine-1-carboximidamide?
The InChIKey is MFGYIGOBJYBZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4/c1-11-5-7-3-2-4-12(6-7)8(9)10/h7,11H,2-6H2,1H3,(H3,9,10).
What are the key properties of 3-(methylaminomethyl)piperidine-1-carboximidamide?
3-(methylaminomethyl)piperidine-1-carboximidamide has a molecular weight of 170.26 g/mol, XLogP of -0.19, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylaminomethyl)piperidine-1-carboximidamide is sourced from PubChem (CID 19082937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).