triethyl-(N'-ethyl-N,N-dipentylcarbamimidoyl)azanium chloride

C19H42ClN3 — CID 163212740

IUPACtriethyl-(N'-ethyl-N,N-dipentylcarbamimidoyl)azanium chloride
SMILESCCCCCN(CCCCC)/C(=N\CC)[N+](CC)(CC)CC.[Cl-]
InChIInChI=1S/C19H42N3.ClH/c1-7-13-15-17-21(18-16-14-8-2)19(20-9-3)22(10-4,11-5)12-6;/h7-18H2,1-6H3;1H/q+1;/p-1/b20-19+;
InChIKeyOJVZZWSYNFLSCA-RZLHGTIFSA-M
MW348.02 g/mol
LogP1.93
Rot. Bonds12

About triethyl-(N'-ethyl-N,N-dipentylcarbamimidoyl)azanium chloride

triethyl-(N'-ethyl-N,N-dipentylcarbamimidoyl)azanium chloride (PubChem CID 163212740) has the molecular formula C19H42ClN3 and a molecular weight of 348.02 g/mol. Its IUPAC name is triethyl-(N'-ethyl-N,N-dipentylcarbamimidoyl)azanium chloride.

Molecular Properties

Compound Nametriethyl-(N'-ethyl-N,N-dipentylcarbamimidoyl)azanium chloride
PubChem CID163212740
Molecular FormulaC19H42ClN3
Molecular Weight348.02 g/mol
Exact Mass347.31
IUPAC Nametriethyl-(N'-ethyl-N,N-dipentylcarbamimidoyl)azanium chloride
SMILESCCCCCN(CCCCC)/C(=N\CC)[N+](CC)(CC)CC.[Cl-]
InChIInChI=1S/C19H42N3.ClH/c1-7-13-15-17-21(18-16-14-8-2)19(20-9-3)22(10-4,11-5)12-6;/h7-18H2,1-6H3;1H/q+1;/p-1/b20-19+;
InChIKeyOJVZZWSYNFLSCA-RZLHGTIFSA-M
XLogP1.93
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.02
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

triethyl-(N'-ethyl-N,N-dipropylcarbamimidoyl)azanium chloride
CID 163212742
(N,N-dibutyl-N'-propylcarbamimidoyl)-tripropylazanium
CID 163212730
methanesulfonate;triethyl-(N,N,N'-triethylcarbamimidoyl)azanium
CID 87085879
N,N-dibutyl-N'-ethylcarbamimidoyl chloride
CID 121218469
1,1-dihexyl-3-methylthiourea
CID 19653408
N'-methyl-N,N-dioctylethanimidamide
CID 139776671
N,N,N',N'-tetrahexyloxamide
CID 6424911
N-(1-methylsulfanylethenyl)-N-octyloctan-1-amine
CID 145283930
N,N-dipentylethanesulfonamide
CID 3453334
N,N,N',N'-tetrahexylmethanedisulfonamide
CID 140586824
hexyl(octadecyl)carbamic acid
CID 87702094
N,N-di(icosyl)acetamide
CID 57063838

Frequently Asked Questions

What is the IUPAC name of triethyl-(N'-ethyl-N,N-dipentylcarbamimidoyl)azanium chloride?
The IUPAC name of triethyl-(N'-ethyl-N,N-dipentylcarbamimidoyl)azanium chloride (CID 163212740) is triethyl-(N'-ethyl-N,N-dipentylcarbamimidoyl)azanium chloride.
What is the SMILES notation for triethyl-(N'-ethyl-N,N-dipentylcarbamimidoyl)azanium chloride?
The canonical SMILES for triethyl-(N'-ethyl-N,N-dipentylcarbamimidoyl)azanium chloride is CCCCCN(CCCCC)/C(=N\CC)[N+](CC)(CC)CC.[Cl-].
What is the InChIKey of triethyl-(N'-ethyl-N,N-dipentylcarbamimidoyl)azanium chloride?
The InChIKey is OJVZZWSYNFLSCA-RZLHGTIFSA-M. The full InChI is InChI=1S/C19H42N3.ClH/c1-7-13-15-17-21(18-16-14-8-2)19(20-9-3)22(10-4,11-5)12-6;/h7-18H2,1-6H3;1H/q+1;/p-1/b20-19+;.
What are the key properties of triethyl-(N'-ethyl-N,N-dipentylcarbamimidoyl)azanium chloride?
triethyl-(N'-ethyl-N,N-dipentylcarbamimidoyl)azanium chloride has a molecular weight of 348.02 g/mol, XLogP of 1.93, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-(N'-ethyl-N,N-dipentylcarbamimidoyl)azanium chloride is sourced from PubChem (CID 163212740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).