1-ethyl-1,3,3-trimethyl-2-[(E)-prop-1-enyl]guanidine

C9H19N3 — CID 118490283

IUPAC1-ethyl-1,3,3-trimethyl-2-[(E)-prop-1-enyl]guanidine
SMILESC/C=C/N=C(\N(C)C)N(C)CC
InChIInChI=1S/C9H19N3/c1-6-8-10-9(11(3)4)12(5)7-2/h6,8H,7H2,1-5H3/b8-6+,10-9+
InChIKeyWHJIVWJCIXFQMP-QGHYKFKQSA-N
MW169.27 g/mol
LogP1.39
Rot. Bonds2

About 1-ethyl-1,3,3-trimethyl-2-[(E)-prop-1-enyl]guanidine

1-ethyl-1,3,3-trimethyl-2-[(E)-prop-1-enyl]guanidine (PubChem CID 118490283) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-ethyl-1,3,3-trimethyl-2-[(E)-prop-1-enyl]guanidine.

Molecular Properties

Compound Name1-ethyl-1,3,3-trimethyl-2-[(E)-prop-1-enyl]guanidine
PubChem CID118490283
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name1-ethyl-1,3,3-trimethyl-2-[(E)-prop-1-enyl]guanidine
SMILESC/C=C/N=C(\N(C)C)N(C)CC
InChIInChI=1S/C9H19N3/c1-6-8-10-9(11(3)4)12(5)7-2/h6,8H,7H2,1-5H3/b8-6+,10-9+
InChIKeyWHJIVWJCIXFQMP-QGHYKFKQSA-N
XLogP1.39
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1,3,3-trimethyl-2-[(E)-prop-1-enyl]guanidine?
The IUPAC name of 1-ethyl-1,3,3-trimethyl-2-[(E)-prop-1-enyl]guanidine (CID 118490283) is 1-ethyl-1,3,3-trimethyl-2-[(E)-prop-1-enyl]guanidine.
What is the SMILES notation for 1-ethyl-1,3,3-trimethyl-2-[(E)-prop-1-enyl]guanidine?
The canonical SMILES for 1-ethyl-1,3,3-trimethyl-2-[(E)-prop-1-enyl]guanidine is C/C=C/N=C(\N(C)C)N(C)CC.
What is the InChIKey of 1-ethyl-1,3,3-trimethyl-2-[(E)-prop-1-enyl]guanidine?
The InChIKey is WHJIVWJCIXFQMP-QGHYKFKQSA-N. The full InChI is InChI=1S/C9H19N3/c1-6-8-10-9(11(3)4)12(5)7-2/h6,8H,7H2,1-5H3/b8-6+,10-9+.
What are the key properties of 1-ethyl-1,3,3-trimethyl-2-[(E)-prop-1-enyl]guanidine?
1-ethyl-1,3,3-trimethyl-2-[(E)-prop-1-enyl]guanidine has a molecular weight of 169.27 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1,3,3-trimethyl-2-[(E)-prop-1-enyl]guanidine is sourced from PubChem (CID 118490283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).