1,2-dimethyl-1-prop-1-en-2-ylguanidine

C6H13N3 — CID 145170884

IUPAC1,2-dimethyl-1-prop-1-en-2-ylguanidine
SMILESC=C(C)N(C)/C(N)=N/C
InChIInChI=1S/C6H13N3/c1-5(2)9(4)6(7)8-3/h1H2,2-4H3,(H2,7,8)
InChIKeyJBRBVGUIVYKWCV-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.40
Rot. Bonds1

About 1,2-dimethyl-1-prop-1-en-2-ylguanidine

1,2-dimethyl-1-prop-1-en-2-ylguanidine (PubChem CID 145170884) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is 1,2-dimethyl-1-prop-1-en-2-ylguanidine.

Molecular Properties

Compound Name1,2-dimethyl-1-prop-1-en-2-ylguanidine
PubChem CID145170884
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC Name1,2-dimethyl-1-prop-1-en-2-ylguanidine
SMILESC=C(C)N(C)/C(N)=N/C
InChIInChI=1S/C6H13N3/c1-5(2)9(4)6(7)8-3/h1H2,2-4H3,(H2,7,8)
InChIKeyJBRBVGUIVYKWCV-UHFFFAOYSA-N
XLogP0.40
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,2-dimethyl-1-prop-1-en-2-ylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-1-prop-1-en-2-ylthiourea
CID 163692831
1,1,3-trimethyl-3-(N'-methylcarbamimidoyl)guanidine
CID 86292533
methanamine;N'-methylethanimidamide;2-methylprop-1-ene
CID 142054622
1-ethyl-1,2-dimethylguanidine
CID 21191499
N'-[methyl(prop-1-en-2-yl)amino]ethanimidamide
CID 123556942
3-methyliminobut-1-en-2-amine
CID 142085830
1-cyano-1,2-dimethylguanidine
CID 21023741
1-ethyl-1,2-dimethylguanidine;methane
CID 158668223
2-[methyl-(N'-methylcarbamimidoyl)amino]propanoic acid
CID 145181613
1-(4,4-difluorocyclohexyl)-1,2-dimethylguanidine
CID 164657652
N'-methyl-N-propan-2-yl-N-prop-1-en-2-ylethanimidamide
CID 123367208
1-(2-hydroxyethyl)-1,2-dimethylguanidine
CID 55287328

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-1-prop-1-en-2-ylguanidine?
The IUPAC name of 1,2-dimethyl-1-prop-1-en-2-ylguanidine (CID 145170884) is 1,2-dimethyl-1-prop-1-en-2-ylguanidine.
What is the SMILES notation for 1,2-dimethyl-1-prop-1-en-2-ylguanidine?
The canonical SMILES for 1,2-dimethyl-1-prop-1-en-2-ylguanidine is C=C(C)N(C)/C(N)=N/C.
What is the InChIKey of 1,2-dimethyl-1-prop-1-en-2-ylguanidine?
The InChIKey is JBRBVGUIVYKWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3/c1-5(2)9(4)6(7)8-3/h1H2,2-4H3,(H2,7,8).
What are the key properties of 1,2-dimethyl-1-prop-1-en-2-ylguanidine?
1,2-dimethyl-1-prop-1-en-2-ylguanidine has a molecular weight of 127.19 g/mol, XLogP of 0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-1-prop-1-en-2-ylguanidine is sourced from PubChem (CID 145170884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).