1-[2-(diethylamino)ethyl]-2-(2-methylprop-2-enyl)guanidine

C11H24N4 — CID 111022727

IUPAC1-[2-(diethylamino)ethyl]-2-(2-methylprop-2-enyl)guanidine
SMILESC=C(C)C/N=C(\N)NCCN(CC)CC
InChIInChI=1S/C11H24N4/c1-5-15(6-2)8-7-13-11(12)14-9-10(3)4/h3,5-9H2,1-2,4H3,(H3,12,13,14)
InChIKeyWTUSDTFBPXRDRA-UHFFFAOYSA-N
MW212.34 g/mol
LogP0.81
Rot. Bonds7

About 1-[2-(diethylamino)ethyl]-2-(2-methylprop-2-enyl)guanidine

1-[2-(diethylamino)ethyl]-2-(2-methylprop-2-enyl)guanidine (PubChem CID 111022727) has the molecular formula C11H24N4 and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethyl]-2-(2-methylprop-2-enyl)guanidine.

Molecular Properties

Compound Name1-[2-(diethylamino)ethyl]-2-(2-methylprop-2-enyl)guanidine
PubChem CID111022727
Molecular FormulaC11H24N4
Molecular Weight212.34 g/mol
Exact Mass212.20
IUPAC Name1-[2-(diethylamino)ethyl]-2-(2-methylprop-2-enyl)guanidine
SMILESC=C(C)C/N=C(\N)NCCN(CC)CC
InChIInChI=1S/C11H24N4/c1-5-15(6-2)8-7-13-11(12)14-9-10(3)4/h3,5-9H2,1-2,4H3,(H3,12,13,14)
InChIKeyWTUSDTFBPXRDRA-UHFFFAOYSA-N
XLogP0.81
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Pterogynidine
CID 10035557
1-[3-[(3-Aminopropyl)amino]propyl]-3-(3-methylbut-2-en-1-yl)guanidine
CID 44222464
2-(2-Methylprop-2-enyl)-1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine;hydroiodide
CID 111803219
2-(2-Methylprop-2-enyl)-1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine
CID 111803220
N-[(E)-3-amino-2-methyl-1-[methyl-[2-(methylamino)ethyl]amino]prop-1-enyl]-N'-methylmethanimidamide
CID 90453984
6-methyl-5-N-(2-methylprop-2-enyl)-1,4-dihydropyrimidine-2,4,5-triamine
CID 163970964
1-(2-Aminoethyl)-2-(3-methylbut-2-enyl)guanidine
CID 24879370
1-Ethyl-2-(3-methylbut-2-enyl)guanidine
CID 103517451
2-[2-(Diethylamino)propyl]-1-ethyl-3-prop-2-enylguanidine
CID 110980187
1-[2-(Diethylamino)ethyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide
CID 110981414
1-[2-(Diethylamino)ethyl]-2-methyl-3-prop-2-enylguanidine
CID 110981415
1-[2-[Di(propan-2-yl)amino]ethyl]-2-methyl-3-prop-2-enylguanidine
CID 110981525

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethyl]-2-(2-methylprop-2-enyl)guanidine?
The IUPAC name of 1-[2-(diethylamino)ethyl]-2-(2-methylprop-2-enyl)guanidine (CID 111022727) is 1-[2-(diethylamino)ethyl]-2-(2-methylprop-2-enyl)guanidine.
What is the SMILES notation for 1-[2-(diethylamino)ethyl]-2-(2-methylprop-2-enyl)guanidine?
The canonical SMILES for 1-[2-(diethylamino)ethyl]-2-(2-methylprop-2-enyl)guanidine is C=C(C)C/N=C(\N)NCCN(CC)CC.
What is the InChIKey of 1-[2-(diethylamino)ethyl]-2-(2-methylprop-2-enyl)guanidine?
The InChIKey is WTUSDTFBPXRDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4/c1-5-15(6-2)8-7-13-11(12)14-9-10(3)4/h3,5-9H2,1-2,4H3,(H3,12,13,14).
What are the key properties of 1-[2-(diethylamino)ethyl]-2-(2-methylprop-2-enyl)guanidine?
1-[2-(diethylamino)ethyl]-2-(2-methylprop-2-enyl)guanidine has a molecular weight of 212.34 g/mol, XLogP of 0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethyl]-2-(2-methylprop-2-enyl)guanidine is sourced from PubChem (CID 111022727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).