3-(N,N-diethylcarbamimidoyl)-1,1-diethylguanidine

C10H23N5 — CID 176521202

IUPAC3-(N,N-diethylcarbamimidoyl)-1,1-diethylguanidine
SMILES[H]/N=C(/N/C(=N/[H])N(CC)CC)N(CC)CC
InChIInChI=1S/C10H23N5/c1-5-14(6-2)9(11)13-10(12)15(7-3)8-4/h5-8H2,1-4H3,(H3,11,12,13)
InChIKeyATPFAFFEBBTROL-UHFFFAOYSA-N
MW213.33 g/mol
LogP1.13
Rot. Bonds4

About 3-(N,N-diethylcarbamimidoyl)-1,1-diethylguanidine

3-(N,N-diethylcarbamimidoyl)-1,1-diethylguanidine (PubChem CID 176521202) has the molecular formula C10H23N5 and a molecular weight of 213.33 g/mol. Its IUPAC name is 3-(N,N-diethylcarbamimidoyl)-1,1-diethylguanidine.

Molecular Properties

Compound Name3-(N,N-diethylcarbamimidoyl)-1,1-diethylguanidine
PubChem CID176521202
Molecular FormulaC10H23N5
Molecular Weight213.33 g/mol
Exact Mass213.20
IUPAC Name3-(N,N-diethylcarbamimidoyl)-1,1-diethylguanidine
SMILES[H]/N=C(/N/C(=N/[H])N(CC)CC)N(CC)CC
InChIInChI=1S/C10H23N5/c1-5-14(6-2)9(11)13-10(12)15(7-3)8-4/h5-8H2,1-4H3,(H3,11,12,13)
InChIKeyATPFAFFEBBTROL-UHFFFAOYSA-N
XLogP1.13
TPSA66.21 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.33
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

(N,N-dipropylcarbamimidoyl)urea
CID 141477803
N,N-diethyl-2-methoxypropanimidamide
CID 79605131
2-[[1-(diethylamino)-1-imino-2-methylpropan-2-yl]diazenyl]-N,N-diethyl-2-methylpropanimidamide;dihydrochloride
CID 88682849
N,N-diethyl-4-methylpentanimidamide
CID 63179219
1-(2,2-dihydroxyethyl)-1-ethylguanidine
CID 20660155
1-N,1-N,1-N',1-N',2-N,2-N,2-N',2-N'-octaethylethene-1,1,2,2-tetramine
CID 101365533
N-ethyl-N-(methylamino)carbamimidoyl fluoride
CID 170771742
N-ethyl-N-(2-iminobutyl)acetamide
CID 155200421
N-[3-(diethylamino)propyl]-N-ethylethanimidamide
CID 102998150
(propan-2-ylideneamino) N,N-diethylcarbamimidate
CID 12997851
3-carbamimidoyl-1,1,2-triethylguanidine;nitric acid
CID 176523607
phenyl N-(diethylcarbamoyl)carbamimidothioate
CID 173453331

Frequently Asked Questions

What is the IUPAC name of 3-(N,N-diethylcarbamimidoyl)-1,1-diethylguanidine?
The IUPAC name of 3-(N,N-diethylcarbamimidoyl)-1,1-diethylguanidine (CID 176521202) is 3-(N,N-diethylcarbamimidoyl)-1,1-diethylguanidine.
What is the SMILES notation for 3-(N,N-diethylcarbamimidoyl)-1,1-diethylguanidine?
The canonical SMILES for 3-(N,N-diethylcarbamimidoyl)-1,1-diethylguanidine is [H]/N=C(/N/C(=N/[H])N(CC)CC)N(CC)CC.
What is the InChIKey of 3-(N,N-diethylcarbamimidoyl)-1,1-diethylguanidine?
The InChIKey is ATPFAFFEBBTROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N5/c1-5-14(6-2)9(11)13-10(12)15(7-3)8-4/h5-8H2,1-4H3,(H3,11,12,13).
What are the key properties of 3-(N,N-diethylcarbamimidoyl)-1,1-diethylguanidine?
3-(N,N-diethylcarbamimidoyl)-1,1-diethylguanidine has a molecular weight of 213.33 g/mol, XLogP of 1.13, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N,N-diethylcarbamimidoyl)-1,1-diethylguanidine is sourced from PubChem (CID 176521202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).