1,2-dimethyl-3-prop-2-enylguanidine

C6H13N3 — CID 55218998

IUPAC1,2-dimethyl-3-prop-2-enylguanidine
SMILESC=CCN/C(=N/C)NC
InChIInChI=1S/C6H13N3/c1-4-5-9-6(7-2)8-3/h4H,1,5H2,2-3H3,(H2,7,8,9)
InChIKeyHOOABODHWIUYPR-UHFFFAOYSA-N
MW127.19 g/mol
LogP-0.03
Rot. Bonds2

About 1,2-dimethyl-3-prop-2-enylguanidine

1,2-dimethyl-3-prop-2-enylguanidine (PubChem CID 55218998) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is 1,2-dimethyl-3-prop-2-enylguanidine.

Molecular Properties

Compound Name1,2-dimethyl-3-prop-2-enylguanidine
PubChem CID55218998
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC Name1,2-dimethyl-3-prop-2-enylguanidine
SMILESC=CCN/C(=N/C)NC
InChIInChI=1S/C6H13N3/c1-4-5-9-6(7-2)8-3/h4H,1,5H2,2-3H3,(H2,7,8,9)
InChIKeyHOOABODHWIUYPR-UHFFFAOYSA-N
XLogP-0.03
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 5-0.03
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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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-prop-2-enylguanidine?
The IUPAC name of 1,2-dimethyl-3-prop-2-enylguanidine (CID 55218998) is 1,2-dimethyl-3-prop-2-enylguanidine.
What is the SMILES notation for 1,2-dimethyl-3-prop-2-enylguanidine?
The canonical SMILES for 1,2-dimethyl-3-prop-2-enylguanidine is C=CCN/C(=N/C)NC.
What is the InChIKey of 1,2-dimethyl-3-prop-2-enylguanidine?
The InChIKey is HOOABODHWIUYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3/c1-4-5-9-6(7-2)8-3/h4H,1,5H2,2-3H3,(H2,7,8,9).
What are the key properties of 1,2-dimethyl-3-prop-2-enylguanidine?
1,2-dimethyl-3-prop-2-enylguanidine has a molecular weight of 127.19 g/mol, XLogP of -0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-prop-2-enylguanidine is sourced from PubChem (CID 55218998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).