1-ethyl-2-[2-[ethyl(methyl)amino]ethyl]-3-prop-2-ynylguanidine

C11H22N4 — CID 136922237

IUPAC1-ethyl-2-[2-[ethyl(methyl)amino]ethyl]-3-prop-2-ynylguanidine
SMILESC#CCN/C(=N/CCN(C)CC)NCC
InChIInChI=1S/C11H22N4/c1-5-8-13-11(12-6-2)14-9-10-15(4)7-3/h1H,6-10H2,2-4H3,(H2,12,13,14)
InChIKeyIHQRWWABPMXKQD-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.13
Rot. Bonds6

About 1-ethyl-2-[2-[ethyl(methyl)amino]ethyl]-3-prop-2-ynylguanidine

1-ethyl-2-[2-[ethyl(methyl)amino]ethyl]-3-prop-2-ynylguanidine (PubChem CID 136922237) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-ethyl-2-[2-[ethyl(methyl)amino]ethyl]-3-prop-2-ynylguanidine.

Molecular Properties

Compound Name1-ethyl-2-[2-[ethyl(methyl)amino]ethyl]-3-prop-2-ynylguanidine
PubChem CID136922237
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name1-ethyl-2-[2-[ethyl(methyl)amino]ethyl]-3-prop-2-ynylguanidine
SMILESC#CCN/C(=N/CCN(C)CC)NCC
InChIInChI=1S/C11H22N4/c1-5-8-13-11(12-6-2)14-9-10-15(4)7-3/h1H,6-10H2,2-4H3,(H2,12,13,14)
InChIKeyIHQRWWABPMXKQD-UHFFFAOYSA-N
XLogP0.13
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.13
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1,3-diethyl-2-[2-[ethyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 110916967
1-ethyl-2-[2-[ethyl(propan-2-yl)amino]ethyl]-3-prop-2-ynylguanidine
CID 136922005
2-[2-[benzyl(methyl)amino]ethyl]-1-ethyl-3-prop-2-ynylguanidine
CID 136921997
1-tert-butyl-3-ethyl-2-[2-[ethyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 110965066
1-ethyl-2-[2-[ethyl(methyl)amino]ethyl]-3-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine
CID 111652560
2-[2-[4-(dimethylamino)phenyl]ethyl]-1-ethyl-3-prop-2-ynylguanidine
CID 136922197
1-ethyl-2-[2-[ethyl(methyl)amino]ethyl]-3-(1-methoxypropan-2-yl)guanidine
CID 111237729
1-[2-(2-chlorophenyl)ethyl]-3-ethyl-2-[2-[ethyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 111883044
1-ethyl-2-[2-[ethyl(methyl)amino]ethyl]-3-(4-methylcyclohexyl)guanidine
CID 111257033
1-ethyl-2-[2-[ethyl(methyl)amino]ethyl]-3-[2-(4-fluorophenyl)ethyl]guanidine
CID 111230673
1-ethyl-2-[2-[ethyl(methyl)amino]ethyl]-3-(4-methylcyclohexyl)guanidine;hydroiodide
CID 111257032
1-ethyl-3-[2-[ethyl(methyl)amino]ethyl]-2-hexylguanidine;hydroiodide
CID 111161396

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-[ethyl(methyl)amino]ethyl]-3-prop-2-ynylguanidine?
The IUPAC name of 1-ethyl-2-[2-[ethyl(methyl)amino]ethyl]-3-prop-2-ynylguanidine (CID 136922237) is 1-ethyl-2-[2-[ethyl(methyl)amino]ethyl]-3-prop-2-ynylguanidine.
What is the SMILES notation for 1-ethyl-2-[2-[ethyl(methyl)amino]ethyl]-3-prop-2-ynylguanidine?
The canonical SMILES for 1-ethyl-2-[2-[ethyl(methyl)amino]ethyl]-3-prop-2-ynylguanidine is C#CCN/C(=N/CCN(C)CC)NCC.
What is the InChIKey of 1-ethyl-2-[2-[ethyl(methyl)amino]ethyl]-3-prop-2-ynylguanidine?
The InChIKey is IHQRWWABPMXKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-5-8-13-11(12-6-2)14-9-10-15(4)7-3/h1H,6-10H2,2-4H3,(H2,12,13,14).
What are the key properties of 1-ethyl-2-[2-[ethyl(methyl)amino]ethyl]-3-prop-2-ynylguanidine?
1-ethyl-2-[2-[ethyl(methyl)amino]ethyl]-3-prop-2-ynylguanidine has a molecular weight of 210.32 g/mol, XLogP of 0.13, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-[ethyl(methyl)amino]ethyl]-3-prop-2-ynylguanidine is sourced from PubChem (CID 136922237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).