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

C15H34ClN3 — CID 163212742

IUPACtriethyl-(N'-ethyl-N,N-dipropylcarbamimidoyl)azanium chloride
SMILESCCCN(CCC)/C(=N\CC)[N+](CC)(CC)CC.[Cl-]
InChIInChI=1S/C15H34N3.ClH/c1-7-13-17(14-8-2)15(16-9-3)18(10-4,11-5)12-6;/h7-14H2,1-6H3;1H/q+1;/p-1/b16-15+;
InChIKeyVRAZOSSLJBQVRV-GEEYTBSJSA-M
MW291.91 g/mol
LogP0.36
Rot. Bonds8

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

triethyl-(N'-ethyl-N,N-dipropylcarbamimidoyl)azanium chloride (PubChem CID 163212742) has the molecular formula C15H34ClN3 and a molecular weight of 291.91 g/mol. Its IUPAC name is triethyl-(N'-ethyl-N,N-dipropylcarbamimidoyl)azanium chloride.

Molecular Properties

Compound Nametriethyl-(N'-ethyl-N,N-dipropylcarbamimidoyl)azanium chloride
PubChem CID163212742
Molecular FormulaC15H34ClN3
Molecular Weight291.91 g/mol
Exact Mass291.24
IUPAC Nametriethyl-(N'-ethyl-N,N-dipropylcarbamimidoyl)azanium chloride
SMILESCCCN(CCC)/C(=N\CC)[N+](CC)(CC)CC.[Cl-]
InChIInChI=1S/C15H34N3.ClH/c1-7-13-17(14-8-2)15(16-9-3)18(10-4,11-5)12-6;/h7-14H2,1-6H3;1H/q+1;/p-1/b16-15+;
InChIKeyVRAZOSSLJBQVRV-GEEYTBSJSA-M
XLogP0.36
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.91
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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Related Compounds

triethyl-(N'-ethyl-N,N-dipentylcarbamimidoyl)azanium chloride
CID 163212740
methanesulfonate;triethyl-(N,N,N'-triethylcarbamimidoyl)azanium
CID 87085879
(N,N-dibutyl-N'-propylcarbamimidoyl)-tripropylazanium
CID 163212730
phosphane;tetrakis(1,1,3,3-tetrapropylguanidine)
CID 175106383
N,N-dibutyl-N'-ethylcarbamimidoyl chloride
CID 121218469
N'-ethyl-N,N-dipropylmethanimidamide;hydrochloride
CID 88610819
CID 140734254
CID 140734254
1-ethyl-1,2-dipropylguanidine
CID 62359189
3-amino-1,1,2-tripropylguanidine
CID 104883381
1-ethyl-2,3-dimethyl-1-propylguanidine
CID 131223275
N,N-dipropylethanethioamide
CID 19819320
butane;S-ethyl N,N-dipropylcarbamothioate
CID 88766037

Frequently Asked Questions

What is the IUPAC name of triethyl-(N'-ethyl-N,N-dipropylcarbamimidoyl)azanium chloride?
The IUPAC name of triethyl-(N'-ethyl-N,N-dipropylcarbamimidoyl)azanium chloride (CID 163212742) is triethyl-(N'-ethyl-N,N-dipropylcarbamimidoyl)azanium chloride.
What is the SMILES notation for triethyl-(N'-ethyl-N,N-dipropylcarbamimidoyl)azanium chloride?
The canonical SMILES for triethyl-(N'-ethyl-N,N-dipropylcarbamimidoyl)azanium chloride is CCCN(CCC)/C(=N\CC)[N+](CC)(CC)CC.[Cl-].
What is the InChIKey of triethyl-(N'-ethyl-N,N-dipropylcarbamimidoyl)azanium chloride?
The InChIKey is VRAZOSSLJBQVRV-GEEYTBSJSA-M. The full InChI is InChI=1S/C15H34N3.ClH/c1-7-13-17(14-8-2)15(16-9-3)18(10-4,11-5)12-6;/h7-14H2,1-6H3;1H/q+1;/p-1/b16-15+;.
What are the key properties of triethyl-(N'-ethyl-N,N-dipropylcarbamimidoyl)azanium chloride?
triethyl-(N'-ethyl-N,N-dipropylcarbamimidoyl)azanium chloride has a molecular weight of 291.91 g/mol, XLogP of 0.36, 8 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-dipropylcarbamimidoyl)azanium chloride is sourced from PubChem (CID 163212742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).