4-[2-(methylamino)ethyl]piperidine-1-carboximidamide

C9H20N4 — CID 20641645

IUPAC4-[2-(methylamino)ethyl]piperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC(CCNC)CC1
InChIInChI=1S/C9H20N4/c1-12-5-2-8-3-6-13(7-4-8)9(10)11/h8,12H,2-7H2,1H3,(H3,10,11)
InChIKeyCTUKIHVOPLZDEG-UHFFFAOYSA-N
MW184.29 g/mol
LogP0.20
Rot. Bonds3

About 4-[2-(methylamino)ethyl]piperidine-1-carboximidamide

4-[2-(methylamino)ethyl]piperidine-1-carboximidamide (PubChem CID 20641645) has the molecular formula C9H20N4 and a molecular weight of 184.29 g/mol. Its IUPAC name is 4-[2-(methylamino)ethyl]piperidine-1-carboximidamide.

Molecular Properties

Compound Name4-[2-(methylamino)ethyl]piperidine-1-carboximidamide
PubChem CID20641645
Molecular FormulaC9H20N4
Molecular Weight184.29 g/mol
Exact Mass184.17
IUPAC Name4-[2-(methylamino)ethyl]piperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC(CCNC)CC1
InChIInChI=1S/C9H20N4/c1-12-5-2-8-3-6-13(7-4-8)9(10)11/h8,12H,2-7H2,1H3,(H3,10,11)
InChIKeyCTUKIHVOPLZDEG-UHFFFAOYSA-N
XLogP0.20
TPSA65.14 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.29
LogP ≤ 50.20
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 4-[2-(methylamino)ethyl]piperidine-1-carboximidamide?
The IUPAC name of 4-[2-(methylamino)ethyl]piperidine-1-carboximidamide (CID 20641645) is 4-[2-(methylamino)ethyl]piperidine-1-carboximidamide.
What is the SMILES notation for 4-[2-(methylamino)ethyl]piperidine-1-carboximidamide?
The canonical SMILES for 4-[2-(methylamino)ethyl]piperidine-1-carboximidamide is [H]/N=C(\N)N1CCC(CCNC)CC1.
What is the InChIKey of 4-[2-(methylamino)ethyl]piperidine-1-carboximidamide?
The InChIKey is CTUKIHVOPLZDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4/c1-12-5-2-8-3-6-13(7-4-8)9(10)11/h8,12H,2-7H2,1H3,(H3,10,11).
What are the key properties of 4-[2-(methylamino)ethyl]piperidine-1-carboximidamide?
4-[2-(methylamino)ethyl]piperidine-1-carboximidamide has a molecular weight of 184.29 g/mol, XLogP of 0.20, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methylamino)ethyl]piperidine-1-carboximidamide is sourced from PubChem (CID 20641645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).