2-[1-(C,N-dimethylcarbonimidoyl)piperidin-3-yl]-N-ethyl-N-methylethanimidamide

C13H26N4 — CID 134244046

IUPAC2-[1-(C,N-dimethylcarbonimidoyl)piperidin-3-yl]-N-ethyl-N-methylethanimidamide
SMILES[H]/N=C(/CC1CCCN(/C(C)=N/C)C1)N(C)CC
InChIInChI=1S/C13H26N4/c1-5-16(4)13(14)9-12-7-6-8-17(10-12)11(2)15-3/h12,14H,5-10H2,1-4H3/b14-13-,15-11+
InChIKeyZZVHRLHJIJQOKI-YZIFZZMGSA-N
MW238.38 g/mol
LogP2.07
Rot. Bonds3

About 2-[1-(C,N-dimethylcarbonimidoyl)piperidin-3-yl]-N-ethyl-N-methylethanimidamide

2-[1-(C,N-dimethylcarbonimidoyl)piperidin-3-yl]-N-ethyl-N-methylethanimidamide (PubChem CID 134244046) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is 2-[1-(C,N-dimethylcarbonimidoyl)piperidin-3-yl]-N-ethyl-N-methylethanimidamide.

Molecular Properties

Compound Name2-[1-(C,N-dimethylcarbonimidoyl)piperidin-3-yl]-N-ethyl-N-methylethanimidamide
PubChem CID134244046
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Name2-[1-(C,N-dimethylcarbonimidoyl)piperidin-3-yl]-N-ethyl-N-methylethanimidamide
SMILES[H]/N=C(/CC1CCCN(/C(C)=N/C)C1)N(C)CC
InChIInChI=1S/C13H26N4/c1-5-16(4)13(14)9-12-7-6-8-17(10-12)11(2)15-3/h12,14H,5-10H2,1-4H3/b14-13-,15-11+
InChIKeyZZVHRLHJIJQOKI-YZIFZZMGSA-N
XLogP2.07
TPSA42.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[1-(C,N-dimethylcarbonimidoyl)piperidin-3-yl]-N-ethyl-N-methylethanimidamide 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 2-[1-(C,N-dimethylcarbonimidoyl)piperidin-3-yl]-N-ethyl-N-methylethanimidamide?
The IUPAC name of 2-[1-(C,N-dimethylcarbonimidoyl)piperidin-3-yl]-N-ethyl-N-methylethanimidamide (CID 134244046) is 2-[1-(C,N-dimethylcarbonimidoyl)piperidin-3-yl]-N-ethyl-N-methylethanimidamide.
What is the SMILES notation for 2-[1-(C,N-dimethylcarbonimidoyl)piperidin-3-yl]-N-ethyl-N-methylethanimidamide?
The canonical SMILES for 2-[1-(C,N-dimethylcarbonimidoyl)piperidin-3-yl]-N-ethyl-N-methylethanimidamide is [H]/N=C(/CC1CCCN(/C(C)=N/C)C1)N(C)CC.
What is the InChIKey of 2-[1-(C,N-dimethylcarbonimidoyl)piperidin-3-yl]-N-ethyl-N-methylethanimidamide?
The InChIKey is ZZVHRLHJIJQOKI-YZIFZZMGSA-N. The full InChI is InChI=1S/C13H26N4/c1-5-16(4)13(14)9-12-7-6-8-17(10-12)11(2)15-3/h12,14H,5-10H2,1-4H3/b14-13-,15-11+.
What are the key properties of 2-[1-(C,N-dimethylcarbonimidoyl)piperidin-3-yl]-N-ethyl-N-methylethanimidamide?
2-[1-(C,N-dimethylcarbonimidoyl)piperidin-3-yl]-N-ethyl-N-methylethanimidamide has a molecular weight of 238.38 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(C,N-dimethylcarbonimidoyl)piperidin-3-yl]-N-ethyl-N-methylethanimidamide is sourced from PubChem (CID 134244046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).