triethyl-(N'-ethyl-N-piperidin-1-ylcarbamimidoyl)azanium

C14H31N4+ — CID 67068280

IUPACtriethyl-(N'-ethyl-N-piperidin-1-ylcarbamimidoyl)azanium
SMILESCC/N=C(/NN1CCCCC1)[N+](CC)(CC)CC
InChIInChI=1S/C14H31N4/c1-5-15-14(18(6-2,7-3)8-4)16-17-12-10-9-11-13-17/h5-13H2,1-4H3,(H,15,16)/q+1
InChIKeyXULNRFSAQHIZTN-UHFFFAOYSA-N
MW255.43 g/mol
LogP2.23
Rot. Bonds5

About triethyl-(N'-ethyl-N-piperidin-1-ylcarbamimidoyl)azanium

triethyl-(N'-ethyl-N-piperidin-1-ylcarbamimidoyl)azanium (PubChem CID 67068280) has the molecular formula C14H31N4+ and a molecular weight of 255.43 g/mol. Its IUPAC name is triethyl-(N'-ethyl-N-piperidin-1-ylcarbamimidoyl)azanium.

Molecular Properties

Compound Nametriethyl-(N'-ethyl-N-piperidin-1-ylcarbamimidoyl)azanium
PubChem CID67068280
Molecular FormulaC14H31N4+
Molecular Weight255.43 g/mol
Exact Mass255.25
IUPAC Nametriethyl-(N'-ethyl-N-piperidin-1-ylcarbamimidoyl)azanium
SMILESCC/N=C(/NN1CCCCC1)[N+](CC)(CC)CC
InChIInChI=1S/C14H31N4/c1-5-15-14(18(6-2,7-3)8-4)16-17-12-10-9-11-13-17/h5-13H2,1-4H3,(H,15,16)/q+1
InChIKeyXULNRFSAQHIZTN-UHFFFAOYSA-N
XLogP2.23
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 52.23
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'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of triethyl-(N'-ethyl-N-piperidin-1-ylcarbamimidoyl)azanium?
The IUPAC name of triethyl-(N'-ethyl-N-piperidin-1-ylcarbamimidoyl)azanium (CID 67068280) is triethyl-(N'-ethyl-N-piperidin-1-ylcarbamimidoyl)azanium.
What is the SMILES notation for triethyl-(N'-ethyl-N-piperidin-1-ylcarbamimidoyl)azanium?
The canonical SMILES for triethyl-(N'-ethyl-N-piperidin-1-ylcarbamimidoyl)azanium is CC/N=C(/NN1CCCCC1)[N+](CC)(CC)CC.
What is the InChIKey of triethyl-(N'-ethyl-N-piperidin-1-ylcarbamimidoyl)azanium?
The InChIKey is XULNRFSAQHIZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N4/c1-5-15-14(18(6-2,7-3)8-4)16-17-12-10-9-11-13-17/h5-13H2,1-4H3,(H,15,16)/q+1.
What are the key properties of triethyl-(N'-ethyl-N-piperidin-1-ylcarbamimidoyl)azanium?
triethyl-(N'-ethyl-N-piperidin-1-ylcarbamimidoyl)azanium has a molecular weight of 255.43 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-(N'-ethyl-N-piperidin-1-ylcarbamimidoyl)azanium is sourced from PubChem (CID 67068280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).