2-[3-(dimethylamino)propyl]-1-(ethenylideneamino)-1-ethylguanidine

C10H21N5 — CID 176526215

IUPAC2-[3-(dimethylamino)propyl]-1-(ethenylideneamino)-1-ethylguanidine
SMILESC=C=NN(CC)/C(N)=N/CCCN(C)C
InChIInChI=1S/C10H21N5/c1-5-13-15(6-2)10(11)12-8-7-9-14(3)4/h1,6-9H2,2-4H3,(H2,11,12)
InChIKeyXZHRIQPQZDMMLC-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.35
Rot. Bonds6

About 2-[3-(dimethylamino)propyl]-1-(ethenylideneamino)-1-ethylguanidine

2-[3-(dimethylamino)propyl]-1-(ethenylideneamino)-1-ethylguanidine (PubChem CID 176526215) has the molecular formula C10H21N5 and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propyl]-1-(ethenylideneamino)-1-ethylguanidine.

Molecular Properties

Compound Name2-[3-(dimethylamino)propyl]-1-(ethenylideneamino)-1-ethylguanidine
PubChem CID176526215
Molecular FormulaC10H21N5
Molecular Weight211.31 g/mol
Exact Mass211.18
IUPAC Name2-[3-(dimethylamino)propyl]-1-(ethenylideneamino)-1-ethylguanidine
SMILESC=C=NN(CC)/C(N)=N/CCCN(C)C
InChIInChI=1S/C10H21N5/c1-5-13-15(6-2)10(11)12-8-7-9-14(3)4/h1,6-9H2,2-4H3,(H2,11,12)
InChIKeyXZHRIQPQZDMMLC-UHFFFAOYSA-N
XLogP0.35
TPSA57.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[3-(dimethylamino)propyl]-2-methylprop-2-enimidamide
CID 152658412
2,2,2-trichloro-N'-[3-(dimethylamino)propyl]ethanimidamide;dihydrochloride
CID 2770081
1-[3-(dimethylamino)propylimino]prop-1-en-2-amine
CID 176541610
1-tert-butyl-2-[3-(dimethylamino)propyl]guanidine;hydroiodide
CID 110912093
2-butyl-1,1-dimethylguanidine;hydroiodide
CID 130748355
2-[3-(dimethylamino)propyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111023894
N'-[3-(dimethylamino)propyl]piperidine-1-carboximidamide
CID 111023941
2-[3-(dimethylamino)propyl]-1-[4-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 111023893
1-carbamimidoyl-2-[3-(dimethylamino)propyl]guanidine
CID 176532875
1-(2-aminoethyl)-2-[3-(dimethylamino)propyl]-3-ethylguanidine
CID 162471610
3-isothiocyanato-N,N-dimethylpropan-1-amine;hydrochloride
CID 17365655
2-[7-(dimethylamino)heptyl]-1-(4-ethylphenyl)guanidine
CID 111084905

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propyl]-1-(ethenylideneamino)-1-ethylguanidine?
The IUPAC name of 2-[3-(dimethylamino)propyl]-1-(ethenylideneamino)-1-ethylguanidine (CID 176526215) is 2-[3-(dimethylamino)propyl]-1-(ethenylideneamino)-1-ethylguanidine.
What is the SMILES notation for 2-[3-(dimethylamino)propyl]-1-(ethenylideneamino)-1-ethylguanidine?
The canonical SMILES for 2-[3-(dimethylamino)propyl]-1-(ethenylideneamino)-1-ethylguanidine is C=C=NN(CC)/C(N)=N/CCCN(C)C.
What is the InChIKey of 2-[3-(dimethylamino)propyl]-1-(ethenylideneamino)-1-ethylguanidine?
The InChIKey is XZHRIQPQZDMMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N5/c1-5-13-15(6-2)10(11)12-8-7-9-14(3)4/h1,6-9H2,2-4H3,(H2,11,12).
What are the key properties of 2-[3-(dimethylamino)propyl]-1-(ethenylideneamino)-1-ethylguanidine?
2-[3-(dimethylamino)propyl]-1-(ethenylideneamino)-1-ethylguanidine has a molecular weight of 211.31 g/mol, XLogP of 0.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propyl]-1-(ethenylideneamino)-1-ethylguanidine is sourced from PubChem (CID 176526215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).