1,1-diethyl-2-(N'-ethylcarbamimidoyl)guanidine;hydrochloride

C8H20ClN5 — CID 86583244

IUPAC1,1-diethyl-2-(N'-ethylcarbamimidoyl)guanidine;hydrochloride
SMILESCC/N=C(N)/N=C(\N)N(CC)CC.Cl
InChIInChI=1S/C8H19N5.ClH/c1-4-11-7(9)12-8(10)13(5-2)6-3;/h4-6H2,1-3H3,(H4,9,10,11,12);1H
InChIKeyKGRQPUQHBVLOIX-UHFFFAOYSA-N
MW221.74 g/mol
LogP0.40
Rot. Bonds3

About 1,1-diethyl-2-(N'-ethylcarbamimidoyl)guanidine;hydrochloride

1,1-diethyl-2-(N'-ethylcarbamimidoyl)guanidine;hydrochloride (PubChem CID 86583244) has the molecular formula C8H20ClN5 and a molecular weight of 221.74 g/mol. Its IUPAC name is 1,1-diethyl-2-(N'-ethylcarbamimidoyl)guanidine;hydrochloride.

Molecular Properties

Compound Name1,1-diethyl-2-(N'-ethylcarbamimidoyl)guanidine;hydrochloride
PubChem CID86583244
Molecular FormulaC8H20ClN5
Molecular Weight221.74 g/mol
Exact Mass221.14
IUPAC Name1,1-diethyl-2-(N'-ethylcarbamimidoyl)guanidine;hydrochloride
SMILESCC/N=C(N)/N=C(\N)N(CC)CC.Cl
InChIInChI=1S/C8H19N5.ClH/c1-4-11-7(9)12-8(10)13(5-2)6-3;/h4-6H2,1-3H3,(H4,9,10,11,12);1H
InChIKeyKGRQPUQHBVLOIX-UHFFFAOYSA-N
XLogP0.40
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.74
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(diethylamino)ethyl]-1,1-diethylguanidine
CID 111022676
1-benzyl-1-ethyl-2-(N'-octylcarbamimidoyl)guanidine
CID 86657183
2-carbamimidoyl-1-ethyl-1-propylguanidine;hydrochloride
CID 176546682
methyl N'-ethylcarbamimidothioate;hydrochloride
CID 158305401
2-(N'-ethylcarbamimidoyl)-1-phenyl-1-piperidin-1-ylguanidine
CID 174723354
2-(dimethylamino)-N'-ethylethanimidamide
CID 22980368
1-[amino-(4-methylanilino)methylidene]-2-ethylguanidine
CID 70233774
(1E)-1-[amino-(4-methylanilino)methylidene]-2-ethylguanidine
CID 45097615
1-ethyl-1,2-dipropylguanidine
CID 62359189
1-[amino(diethylamino)methylidene]-3-(2,6-dimethylphenyl)thiourea;hydrochloride
CID 159330956
[4-[[[amino-[[amino(dimethylamino)methylidene]amino]methylidene]amino]methyl]phenyl] N,N-diethylcarbamate
CID 66687048
2-[(3-bromophenyl)methyl]-1,1-diethylguanidine
CID 111044516

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-2-(N'-ethylcarbamimidoyl)guanidine;hydrochloride?
The IUPAC name of 1,1-diethyl-2-(N'-ethylcarbamimidoyl)guanidine;hydrochloride (CID 86583244) is 1,1-diethyl-2-(N'-ethylcarbamimidoyl)guanidine;hydrochloride.
What is the SMILES notation for 1,1-diethyl-2-(N'-ethylcarbamimidoyl)guanidine;hydrochloride?
The canonical SMILES for 1,1-diethyl-2-(N'-ethylcarbamimidoyl)guanidine;hydrochloride is CC/N=C(N)/N=C(\N)N(CC)CC.Cl.
What is the InChIKey of 1,1-diethyl-2-(N'-ethylcarbamimidoyl)guanidine;hydrochloride?
The InChIKey is KGRQPUQHBVLOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N5.ClH/c1-4-11-7(9)12-8(10)13(5-2)6-3;/h4-6H2,1-3H3,(H4,9,10,11,12);1H.
What are the key properties of 1,1-diethyl-2-(N'-ethylcarbamimidoyl)guanidine;hydrochloride?
1,1-diethyl-2-(N'-ethylcarbamimidoyl)guanidine;hydrochloride has a molecular weight of 221.74 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-2-(N'-ethylcarbamimidoyl)guanidine;hydrochloride is sourced from PubChem (CID 86583244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).