1-[[bis(ethylamino)methylideneamino]methyl]-2,3-diethylguanidine

C11H26N6 — CID 176541502

IUPAC1-[[bis(ethylamino)methylideneamino]methyl]-2,3-diethylguanidine
SMILESCC/N=C(\NCC)NCN=C(NCC)NCC
InChIInChI=1S/C11H26N6/c1-5-12-10(13-6-2)16-9-17-11(14-7-3)15-8-4/h5-9H2,1-4H3,(H2,12,13,16)(H2,14,15,17)
InChIKeyQOPVYKCSYZGLHK-UHFFFAOYSA-N
MW242.37 g/mol
LogP0.09
Rot. Bonds6

About 1-[[bis(ethylamino)methylideneamino]methyl]-2,3-diethylguanidine

1-[[bis(ethylamino)methylideneamino]methyl]-2,3-diethylguanidine (PubChem CID 176541502) has the molecular formula C11H26N6 and a molecular weight of 242.37 g/mol. Its IUPAC name is 1-[[bis(ethylamino)methylideneamino]methyl]-2,3-diethylguanidine.

Molecular Properties

Compound Name1-[[bis(ethylamino)methylideneamino]methyl]-2,3-diethylguanidine
PubChem CID176541502
Molecular FormulaC11H26N6
Molecular Weight242.37 g/mol
Exact Mass242.22
IUPAC Name1-[[bis(ethylamino)methylideneamino]methyl]-2,3-diethylguanidine
SMILESCC/N=C(\NCC)NCN=C(NCC)NCC
InChIInChI=1S/C11H26N6/c1-5-12-10(13-6-2)16-9-17-11(14-7-3)15-8-4/h5-9H2,1-4H3,(H2,12,13,16)(H2,14,15,17)
InChIKeyQOPVYKCSYZGLHK-UHFFFAOYSA-N
XLogP0.09
TPSA72.84 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 50.09
H-Bond Donors ≤ 54
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

2-(4,4-dimethylpentyl)-1,3-diethylguanidine
CID 111444529
1,3-diethyl-2-methylguanidine
CID 58687650
N,N'-diethylpropanimidamide;hydrochloride
CID 172818517
N,N'-diethyl-2-iodoethanimidamide
CID 135291555
N,N'-diethyl-2-oxoethanimidamide
CID 123980775
1-(1,1-dioxothiolan-3-yl)-2,3-diethylguanidine
CID 110913622
N-[2-[(N-ethyl-N'-pentylcarbamimidoyl)amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111130141
1,3-diethyl-2-[2-[ethyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 110916967
1-ethyl-2,3-bis(2-methoxyethyl)guanidine
CID 110940924
N-[2-[[N-ethyl-N'-(2-methyl-2-methylsulfanylpropyl)carbamimidoyl]amino]ethyl]-2-methylpropanamide
CID 111610868
2-(N,N'-diethylcarbamimidoyl)sulfanylethyl N,N'-diethylcarbamimidothioate;hydrobromide
CID 54604706
2-[(2-chlorophenyl)methyl]-1,3-diethylguanidine;hydroiodide
CID 110924859

Frequently Asked Questions

What is the IUPAC name of 1-[[bis(ethylamino)methylideneamino]methyl]-2,3-diethylguanidine?
The IUPAC name of 1-[[bis(ethylamino)methylideneamino]methyl]-2,3-diethylguanidine (CID 176541502) is 1-[[bis(ethylamino)methylideneamino]methyl]-2,3-diethylguanidine.
What is the SMILES notation for 1-[[bis(ethylamino)methylideneamino]methyl]-2,3-diethylguanidine?
The canonical SMILES for 1-[[bis(ethylamino)methylideneamino]methyl]-2,3-diethylguanidine is CC/N=C(\NCC)NCN=C(NCC)NCC.
What is the InChIKey of 1-[[bis(ethylamino)methylideneamino]methyl]-2,3-diethylguanidine?
The InChIKey is QOPVYKCSYZGLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N6/c1-5-12-10(13-6-2)16-9-17-11(14-7-3)15-8-4/h5-9H2,1-4H3,(H2,12,13,16)(H2,14,15,17).
What are the key properties of 1-[[bis(ethylamino)methylideneamino]methyl]-2,3-diethylguanidine?
1-[[bis(ethylamino)methylideneamino]methyl]-2,3-diethylguanidine has a molecular weight of 242.37 g/mol, XLogP of 0.09, 6 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[bis(ethylamino)methylideneamino]methyl]-2,3-diethylguanidine is sourced from PubChem (CID 176541502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).