4-(methylaminomethyl)piperidine-1-carboximidamide

C8H18N4 — CID 20641650

IUPAC4-(methylaminomethyl)piperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC(CNC)CC1
InChIInChI=1S/C8H18N4/c1-11-6-7-2-4-12(5-3-7)8(9)10/h7,11H,2-6H2,1H3,(H3,9,10)
InChIKeyMSPORBDQRNSRAM-UHFFFAOYSA-N
MW170.26 g/mol
LogP-0.19
Rot. Bonds2

About 4-(methylaminomethyl)piperidine-1-carboximidamide

4-(methylaminomethyl)piperidine-1-carboximidamide (PubChem CID 20641650) has the molecular formula C8H18N4 and a molecular weight of 170.26 g/mol. Its IUPAC name is 4-(methylaminomethyl)piperidine-1-carboximidamide.

Molecular Properties

Compound Name4-(methylaminomethyl)piperidine-1-carboximidamide
PubChem CID20641650
Molecular FormulaC8H18N4
Molecular Weight170.26 g/mol
Exact Mass170.15
IUPAC Name4-(methylaminomethyl)piperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC(CNC)CC1
InChIInChI=1S/C8H18N4/c1-11-6-7-2-4-12(5-3-7)8(9)10/h7,11H,2-6H2,1H3,(H3,9,10)
InChIKeyMSPORBDQRNSRAM-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'}

Analyze 4-(methylaminomethyl)piperidine-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)piperidine-1-carboximidamide?
The IUPAC name of 4-(methylaminomethyl)piperidine-1-carboximidamide (CID 20641650) is 4-(methylaminomethyl)piperidine-1-carboximidamide.
What is the SMILES notation for 4-(methylaminomethyl)piperidine-1-carboximidamide?
The canonical SMILES for 4-(methylaminomethyl)piperidine-1-carboximidamide is [H]/N=C(\N)N1CCC(CNC)CC1.
What is the InChIKey of 4-(methylaminomethyl)piperidine-1-carboximidamide?
The InChIKey is MSPORBDQRNSRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4/c1-11-6-7-2-4-12(5-3-7)8(9)10/h7,11H,2-6H2,1H3,(H3,9,10).
What are the key properties of 4-(methylaminomethyl)piperidine-1-carboximidamide?
4-(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 4-(methylaminomethyl)piperidine-1-carboximidamide is sourced from PubChem (CID 20641650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).