1-ethyl-2-(2-methylprop-2-enyl)guanidine

C7H15N3 — CID 115612295

IUPAC1-ethyl-2-(2-methylprop-2-enyl)guanidine
SMILESC=C(C)C/N=C(\N)NCC
InChIInChI=1S/C7H15N3/c1-4-9-7(8)10-5-6(2)3/h2,4-5H2,1,3H3,(H3,8,9,10)
InChIKeyRDWAJSZOLSFPMZ-UHFFFAOYSA-N
MW141.22 g/mol
LogP0.49
Rot. Bonds3

About 1-ethyl-2-(2-methylprop-2-enyl)guanidine

1-ethyl-2-(2-methylprop-2-enyl)guanidine (PubChem CID 115612295) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is 1-ethyl-2-(2-methylprop-2-enyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-(2-methylprop-2-enyl)guanidine
PubChem CID115612295
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC Name1-ethyl-2-(2-methylprop-2-enyl)guanidine
SMILESC=C(C)C/N=C(\N)NCC
InChIInChI=1S/C7H15N3/c1-4-9-7(8)10-5-6(2)3/h2,4-5H2,1,3H3,(H3,8,9,10)
InChIKeyRDWAJSZOLSFPMZ-UHFFFAOYSA-N
XLogP0.49
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Pterogynidine
CID 10035557
1,2,3-Tris(3-methylbut-2-enyl)guanidine
CID 14781546
Diallylguanidine
CID 15368370
2-(2-Methylprop-2-enyl)-1-(3,3,3-trifluoropropyl)guanidine
CID 111800816
1-(2-Fluoroethyl)-2-(2-methylprop-2-enyl)guanidine
CID 131224434
2-Methyl-1-prop-2-enylguanidine
CID 18952267
1-(Diaminomethylidene)-2-methyl-3-prop-2-enylguanidine
CID 21534138
1,2-Dimethyl-3-prop-2-enylguanidine
CID 55218998
5-Methyl-1,4-dihydropyrimidin-2-amine
CID 68310657
2-Methyl-1-(3-methylbut-2-enyl)guanidine
CID 87780058
1-Cyano-2-methyl-3-(2-methylprop-2-enyl)guanidine
CID 89887513
2-Methyl-1-(2-methylidenebutyl)guanidine
CID 130672906

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(2-methylprop-2-enyl)guanidine?
The IUPAC name of 1-ethyl-2-(2-methylprop-2-enyl)guanidine (CID 115612295) is 1-ethyl-2-(2-methylprop-2-enyl)guanidine.
What is the SMILES notation for 1-ethyl-2-(2-methylprop-2-enyl)guanidine?
The canonical SMILES for 1-ethyl-2-(2-methylprop-2-enyl)guanidine is C=C(C)C/N=C(\N)NCC.
What is the InChIKey of 1-ethyl-2-(2-methylprop-2-enyl)guanidine?
The InChIKey is RDWAJSZOLSFPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3/c1-4-9-7(8)10-5-6(2)3/h2,4-5H2,1,3H3,(H3,8,9,10).
What are the key properties of 1-ethyl-2-(2-methylprop-2-enyl)guanidine?
1-ethyl-2-(2-methylprop-2-enyl)guanidine has a molecular weight of 141.22 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(2-methylprop-2-enyl)guanidine is sourced from PubChem (CID 115612295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).