2-(2-aminoethyl)-1-methylidene-3-(2-methylprop-1-enyl)guanidine

C8H16N4 — CID 89057838

IUPAC2-(2-aminoethyl)-1-methylidene-3-(2-methylprop-1-enyl)guanidine
SMILESC=N/C(=N\CCN)NC=C(C)C
InChIInChI=1S/C8H16N4/c1-7(2)6-12-8(10-3)11-5-4-9/h6H,3-5,9H2,1-2H3,(H,11,12)
InChIKeyRMHXTVRWFYVQHX-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.51
Rot. Bonds3

About 2-(2-aminoethyl)-1-methylidene-3-(2-methylprop-1-enyl)guanidine

2-(2-aminoethyl)-1-methylidene-3-(2-methylprop-1-enyl)guanidine (PubChem CID 89057838) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-(2-aminoethyl)-1-methylidene-3-(2-methylprop-1-enyl)guanidine.

Molecular Properties

Compound Name2-(2-aminoethyl)-1-methylidene-3-(2-methylprop-1-enyl)guanidine
PubChem CID89057838
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name2-(2-aminoethyl)-1-methylidene-3-(2-methylprop-1-enyl)guanidine
SMILESC=N/C(=N\CCN)NC=C(C)C
InChIInChI=1S/C8H16N4/c1-7(2)6-12-8(10-3)11-5-4-9/h6H,3-5,9H2,1-2H3,(H,11,12)
InChIKeyRMHXTVRWFYVQHX-UHFFFAOYSA-N
XLogP0.51
TPSA62.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.51
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-1-methylidene-3-(2-methylprop-1-enyl)guanidine?
The IUPAC name of 2-(2-aminoethyl)-1-methylidene-3-(2-methylprop-1-enyl)guanidine (CID 89057838) is 2-(2-aminoethyl)-1-methylidene-3-(2-methylprop-1-enyl)guanidine.
What is the SMILES notation for 2-(2-aminoethyl)-1-methylidene-3-(2-methylprop-1-enyl)guanidine?
The canonical SMILES for 2-(2-aminoethyl)-1-methylidene-3-(2-methylprop-1-enyl)guanidine is C=N/C(=N\CCN)NC=C(C)C.
What is the InChIKey of 2-(2-aminoethyl)-1-methylidene-3-(2-methylprop-1-enyl)guanidine?
The InChIKey is RMHXTVRWFYVQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-7(2)6-12-8(10-3)11-5-4-9/h6H,3-5,9H2,1-2H3,(H,11,12).
What are the key properties of 2-(2-aminoethyl)-1-methylidene-3-(2-methylprop-1-enyl)guanidine?
2-(2-aminoethyl)-1-methylidene-3-(2-methylprop-1-enyl)guanidine has a molecular weight of 168.24 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-1-methylidene-3-(2-methylprop-1-enyl)guanidine is sourced from PubChem (CID 89057838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).