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

C14H31ClN4 — CID 67068279

IUPACtriethyl-(N'-ethyl-N-piperidin-1-ylcarbamimidoyl)azanium chloride
SMILESCC/N=C(/NN1CCCCC1)[N+](CC)(CC)CC.[Cl-]
InChIInChI=1S/C14H31N4.ClH/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);1H/q+1;/p-1
InChIKeyVHKWWNLJBVXYAX-UHFFFAOYSA-M
MW290.88 g/mol
LogP-0.77
Rot. Bonds5

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

triethyl-(N'-ethyl-N-piperidin-1-ylcarbamimidoyl)azanium chloride (PubChem CID 67068279) has the molecular formula C14H31ClN4 and a molecular weight of 290.88 g/mol. Its IUPAC name is triethyl-(N'-ethyl-N-piperidin-1-ylcarbamimidoyl)azanium chloride.

Molecular Properties

Compound Nametriethyl-(N'-ethyl-N-piperidin-1-ylcarbamimidoyl)azanium chloride
PubChem CID67068279
Molecular FormulaC14H31ClN4
Molecular Weight290.88 g/mol
Exact Mass290.22
IUPAC Nametriethyl-(N'-ethyl-N-piperidin-1-ylcarbamimidoyl)azanium chloride
SMILESCC/N=C(/NN1CCCCC1)[N+](CC)(CC)CC.[Cl-]
InChIInChI=1S/C14H31N4.ClH/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);1H/q+1;/p-1
InChIKeyVHKWWNLJBVXYAX-UHFFFAOYSA-M
XLogP-0.77
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.88
LogP ≤ 5-0.77
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 chloride?
The IUPAC name of triethyl-(N'-ethyl-N-piperidin-1-ylcarbamimidoyl)azanium chloride (CID 67068279) is triethyl-(N'-ethyl-N-piperidin-1-ylcarbamimidoyl)azanium chloride.
What is the SMILES notation for triethyl-(N'-ethyl-N-piperidin-1-ylcarbamimidoyl)azanium chloride?
The canonical SMILES for triethyl-(N'-ethyl-N-piperidin-1-ylcarbamimidoyl)azanium chloride is CC/N=C(/NN1CCCCC1)[N+](CC)(CC)CC.[Cl-].
What is the InChIKey of triethyl-(N'-ethyl-N-piperidin-1-ylcarbamimidoyl)azanium chloride?
The InChIKey is VHKWWNLJBVXYAX-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H31N4.ClH/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);1H/q+1;/p-1.
What are the key properties of triethyl-(N'-ethyl-N-piperidin-1-ylcarbamimidoyl)azanium chloride?
triethyl-(N'-ethyl-N-piperidin-1-ylcarbamimidoyl)azanium chloride has a molecular weight of 290.88 g/mol, XLogP of -0.77, 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 chloride is sourced from PubChem (CID 67068279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).