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

C13H26N4 — CID 136922005

IUPAC1-ethyl-2-[2-[ethyl(propan-2-yl)amino]ethyl]-3-prop-2-ynylguanidine
SMILESC#CCN/C(=N/CCN(CC)C(C)C)NCC
InChIInChI=1S/C13H26N4/c1-6-9-15-13(14-7-2)16-10-11-17(8-3)12(4)5/h1,12H,7-11H2,2-5H3,(H2,14,15,16)
InChIKeyUJSZGNGSFHEGBR-UHFFFAOYSA-N
MW238.38 g/mol
LogP0.90
Rot. Bonds7

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

1-ethyl-2-[2-[ethyl(propan-2-yl)amino]ethyl]-3-prop-2-ynylguanidine (PubChem CID 136922005) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is 1-ethyl-2-[2-[ethyl(propan-2-yl)amino]ethyl]-3-prop-2-ynylguanidine.

Molecular Properties

Compound Name1-ethyl-2-[2-[ethyl(propan-2-yl)amino]ethyl]-3-prop-2-ynylguanidine
PubChem CID136922005
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Name1-ethyl-2-[2-[ethyl(propan-2-yl)amino]ethyl]-3-prop-2-ynylguanidine
SMILESC#CCN/C(=N/CCN(CC)C(C)C)NCC
InChIInChI=1S/C13H26N4/c1-6-9-15-13(14-7-2)16-10-11-17(8-3)12(4)5/h1,12H,7-11H2,2-5H3,(H2,14,15,16)
InChIKeyUJSZGNGSFHEGBR-UHFFFAOYSA-N
XLogP0.90
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 50.90
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-ethyl-2-[2-[ethyl(methyl)amino]ethyl]-3-prop-2-ynylguanidine
CID 136922237
1-ethyl-2-[2-[ethyl(propan-2-yl)amino]ethyl]-3-propan-2-ylguanidine;hydroiodide
CID 111125096
1-butan-2-yl-3-ethyl-2-[2-[ethyl(propan-2-yl)amino]ethyl]guanidine
CID 110945266
1-ethyl-2-[2-[ethyl(propan-2-yl)amino]ethyl]-3-(2-methoxyethyl)guanidine;hydroiodide
CID 110941681
tert-butyl N-[2-[[N-ethyl-N'-[2-[ethyl(propan-2-yl)amino]ethyl]carbamimidoyl]amino]ethyl]carbamate
CID 111883691
2-butyl-1-ethyl-3-[2-[ethyl(propan-2-yl)amino]ethyl]guanidine
CID 111150470
2-butyl-1-ethyl-3-[2-[ethyl(propan-2-yl)amino]ethyl]guanidine;hydroiodide
CID 111150469
1-ethyl-2-[2-[ethyl(propan-2-yl)amino]ethyl]-3-(1-phenylethyl)guanidine
CID 110949496
2-[2-[benzyl(methyl)amino]ethyl]-1-ethyl-3-prop-2-ynylguanidine
CID 136921997
1-ethyl-2-[2-[ethyl(propan-2-yl)amino]ethyl]-3-[2-(4-methylsulfonylphenyl)ethyl]guanidine;hydroiodide
CID 111613206
1-ethyl-2-[2-[ethyl(propan-2-yl)amino]ethyl]-3-[2-(2-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 111339256
2-[2-[4-(dimethylamino)phenyl]ethyl]-1-ethyl-3-prop-2-ynylguanidine
CID 136922197

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-[ethyl(propan-2-yl)amino]ethyl]-3-prop-2-ynylguanidine?
The IUPAC name of 1-ethyl-2-[2-[ethyl(propan-2-yl)amino]ethyl]-3-prop-2-ynylguanidine (CID 136922005) is 1-ethyl-2-[2-[ethyl(propan-2-yl)amino]ethyl]-3-prop-2-ynylguanidine.
What is the SMILES notation for 1-ethyl-2-[2-[ethyl(propan-2-yl)amino]ethyl]-3-prop-2-ynylguanidine?
The canonical SMILES for 1-ethyl-2-[2-[ethyl(propan-2-yl)amino]ethyl]-3-prop-2-ynylguanidine is C#CCN/C(=N/CCN(CC)C(C)C)NCC.
What is the InChIKey of 1-ethyl-2-[2-[ethyl(propan-2-yl)amino]ethyl]-3-prop-2-ynylguanidine?
The InChIKey is UJSZGNGSFHEGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-6-9-15-13(14-7-2)16-10-11-17(8-3)12(4)5/h1,12H,7-11H2,2-5H3,(H2,14,15,16).
What are the key properties of 1-ethyl-2-[2-[ethyl(propan-2-yl)amino]ethyl]-3-prop-2-ynylguanidine?
1-ethyl-2-[2-[ethyl(propan-2-yl)amino]ethyl]-3-prop-2-ynylguanidine has a molecular weight of 238.38 g/mol, XLogP of 0.90, 7 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(propan-2-yl)amino]ethyl]-3-prop-2-ynylguanidine is sourced from PubChem (CID 136922005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).