2,2-dicyano-N-(2-piperidin-1-ylethyl)-N'-(3-piperidin-1-ylpropyl)ethanimidamide

C19H32N6 — CID 91534491

IUPAC2,2-dicyano-N-(2-piperidin-1-ylethyl)-N'-(3-piperidin-1-ylpropyl)ethanimidamide
SMILESN#CC(C#N)/C(=N\CCCN1CCCCC1)NCCN1CCCCC1
InChIInChI=1S/C19H32N6/c20-16-18(17-21)19(23-9-15-25-12-5-2-6-13-25)22-8-7-14-24-10-3-1-4-11-24/h18H,1-15H2,(H,22,23)
InChIKeyAKOOJMXZUKYECO-UHFFFAOYSA-N
MW344.51 g/mol
LogP2.00
Rot. Bonds8

About 2,2-dicyano-N-(2-piperidin-1-ylethyl)-N'-(3-piperidin-1-ylpropyl)ethanimidamide

2,2-dicyano-N-(2-piperidin-1-ylethyl)-N'-(3-piperidin-1-ylpropyl)ethanimidamide (PubChem CID 91534491) has the molecular formula C19H32N6 and a molecular weight of 344.51 g/mol. Its IUPAC name is 2,2-dicyano-N-(2-piperidin-1-ylethyl)-N'-(3-piperidin-1-ylpropyl)ethanimidamide.

Molecular Properties

Compound Name2,2-dicyano-N-(2-piperidin-1-ylethyl)-N'-(3-piperidin-1-ylpropyl)ethanimidamide
PubChem CID91534491
Molecular FormulaC19H32N6
Molecular Weight344.51 g/mol
Exact Mass344.27
IUPAC Name2,2-dicyano-N-(2-piperidin-1-ylethyl)-N'-(3-piperidin-1-ylpropyl)ethanimidamide
SMILESN#CC(C#N)/C(=N\CCCN1CCCCC1)NCCN1CCCCC1
InChIInChI=1S/C19H32N6/c20-16-18(17-21)19(23-9-15-25-12-5-2-6-13-25)22-8-7-14-24-10-3-1-4-11-24/h18H,1-15H2,(H,22,23)
InChIKeyAKOOJMXZUKYECO-UHFFFAOYSA-N
XLogP2.00
TPSA78.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.51
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-cyano-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 62641160
2-[N-(3-piperidin-1-ylpropyl)-C-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonimidoyl]propanedinitrile
CID 91515995
1-[2-(azepan-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111057007
2-[3-(azepan-1-yl)propyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111188192
1-[2-(azepan-1-yl)ethyl]-2-hexylguanidine
CID 111057000
2-[3-(azepan-1-yl)propyl]-1-butyl-3-ethylguanidine;hydroiodide
CID 111149811
N'-(3-pyrrolidin-1-ylpropyl)azepane-1-carboximidamide
CID 86779268
1-hydroxy-2-(3-pyrrolidin-1-ylpropyl)guanidine
CID 62991903
1-ethyl-2-(3-pyrrolidin-1-ylpropyl)guanidine
CID 62991555
5-(azocan-1-yl)pentanenitrile
CID 60688798
1-ethyl-2-[3-(ethylsulfonylamino)propyl]-3-(2-piperidin-1-ylethyl)guanidine
CID 111417055
N'-(3-pyrrolidin-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111034812

Frequently Asked Questions

What is the IUPAC name of 2,2-dicyano-N-(2-piperidin-1-ylethyl)-N'-(3-piperidin-1-ylpropyl)ethanimidamide?
The IUPAC name of 2,2-dicyano-N-(2-piperidin-1-ylethyl)-N'-(3-piperidin-1-ylpropyl)ethanimidamide (CID 91534491) is 2,2-dicyano-N-(2-piperidin-1-ylethyl)-N'-(3-piperidin-1-ylpropyl)ethanimidamide.
What is the SMILES notation for 2,2-dicyano-N-(2-piperidin-1-ylethyl)-N'-(3-piperidin-1-ylpropyl)ethanimidamide?
The canonical SMILES for 2,2-dicyano-N-(2-piperidin-1-ylethyl)-N'-(3-piperidin-1-ylpropyl)ethanimidamide is N#CC(C#N)/C(=N\CCCN1CCCCC1)NCCN1CCCCC1.
What is the InChIKey of 2,2-dicyano-N-(2-piperidin-1-ylethyl)-N'-(3-piperidin-1-ylpropyl)ethanimidamide?
The InChIKey is AKOOJMXZUKYECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N6/c20-16-18(17-21)19(23-9-15-25-12-5-2-6-13-25)22-8-7-14-24-10-3-1-4-11-24/h18H,1-15H2,(H,22,23).
What are the key properties of 2,2-dicyano-N-(2-piperidin-1-ylethyl)-N'-(3-piperidin-1-ylpropyl)ethanimidamide?
2,2-dicyano-N-(2-piperidin-1-ylethyl)-N'-(3-piperidin-1-ylpropyl)ethanimidamide has a molecular weight of 344.51 g/mol, XLogP of 2.00, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dicyano-N-(2-piperidin-1-ylethyl)-N'-(3-piperidin-1-ylpropyl)ethanimidamide is sourced from PubChem (CID 91534491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).