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

C9H20N4 — CID 118490163

IUPAC1-(2-aminoethyl)-1,3,3-trimethyl-2-[(E)-prop-1-enyl]guanidine
SMILESC/C=C/N=C(\N(C)C)N(C)CCN
InChIInChI=1S/C9H20N4/c1-5-7-11-9(12(2)3)13(4)8-6-10/h5,7H,6,8,10H2,1-4H3/b7-5+,11-9+
InChIKeyBRNGEBMDRCTHQI-JEGFTUTRSA-N
MW184.29 g/mol
LogP0.33
Rot. Bonds3

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

1-(2-aminoethyl)-1,3,3-trimethyl-2-[(E)-prop-1-enyl]guanidine (PubChem CID 118490163) has the molecular formula C9H20N4 and a molecular weight of 184.29 g/mol. Its IUPAC name is 1-(2-aminoethyl)-1,3,3-trimethyl-2-[(E)-prop-1-enyl]guanidine.

Molecular Properties

Compound Name1-(2-aminoethyl)-1,3,3-trimethyl-2-[(E)-prop-1-enyl]guanidine
PubChem CID118490163
Molecular FormulaC9H20N4
Molecular Weight184.29 g/mol
Exact Mass184.17
IUPAC Name1-(2-aminoethyl)-1,3,3-trimethyl-2-[(E)-prop-1-enyl]guanidine
SMILESC/C=C/N=C(\N(C)C)N(C)CCN
InChIInChI=1S/C9H20N4/c1-5-7-11-9(12(2)3)13(4)8-6-10/h5,7H,6,8,10H2,1-4H3/b7-5+,11-9+
InChIKeyBRNGEBMDRCTHQI-JEGFTUTRSA-N
XLogP0.33
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.29
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2-aminoethyl)-1,3,3-trimethyl-2-[(E)-prop-1-enyl]guanidine?
The IUPAC name of 1-(2-aminoethyl)-1,3,3-trimethyl-2-[(E)-prop-1-enyl]guanidine (CID 118490163) is 1-(2-aminoethyl)-1,3,3-trimethyl-2-[(E)-prop-1-enyl]guanidine.
What is the SMILES notation for 1-(2-aminoethyl)-1,3,3-trimethyl-2-[(E)-prop-1-enyl]guanidine?
The canonical SMILES for 1-(2-aminoethyl)-1,3,3-trimethyl-2-[(E)-prop-1-enyl]guanidine is C/C=C/N=C(\N(C)C)N(C)CCN.
What is the InChIKey of 1-(2-aminoethyl)-1,3,3-trimethyl-2-[(E)-prop-1-enyl]guanidine?
The InChIKey is BRNGEBMDRCTHQI-JEGFTUTRSA-N. The full InChI is InChI=1S/C9H20N4/c1-5-7-11-9(12(2)3)13(4)8-6-10/h5,7H,6,8,10H2,1-4H3/b7-5+,11-9+.
What are the key properties of 1-(2-aminoethyl)-1,3,3-trimethyl-2-[(E)-prop-1-enyl]guanidine?
1-(2-aminoethyl)-1,3,3-trimethyl-2-[(E)-prop-1-enyl]guanidine has a molecular weight of 184.29 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-1,3,3-trimethyl-2-[(E)-prop-1-enyl]guanidine is sourced from PubChem (CID 118490163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).