3-methanidyl-3-methylbut-1-ene

C6H11- — CID 91253785

IUPAC3-methanidyl-3-methylbut-1-ene
SMILESC=CC([CH2-])(C)C
InChIInChI=1S/C6H11/c1-5-6(2,3)4/h5H,1-2H2,3-4H3/q-1
InChIKeyKNYHVXZGGWNCTO-UHFFFAOYSA-N
MW83.15 g/mol
LogP2.03
Rot. Bonds1

About 3-methanidyl-3-methylbut-1-ene

3-methanidyl-3-methylbut-1-ene (PubChem CID 91253785) has the molecular formula C6H11- and a molecular weight of 83.15 g/mol. Its IUPAC name is 3-methanidyl-3-methylbut-1-ene.

Molecular Properties

Compound Name3-methanidyl-3-methylbut-1-ene
PubChem CID91253785
Molecular FormulaC6H11-
Molecular Weight83.15 g/mol
Exact Mass83.09
IUPAC Name3-methanidyl-3-methylbut-1-ene
SMILESC=CC([CH2-])(C)C
InChIInChI=1S/C6H11/c1-5-6(2,3)4/h5H,1-2H2,3-4H3/q-1
InChIKeyKNYHVXZGGWNCTO-UHFFFAOYSA-N
XLogP2.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.15
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-methanidyl-3-methylbut-1-ene 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

3,3-dimethylbut-1-ene;2,2-dimethylpropane
CID 162278792
ethene;bis(2,2,5,5-tetramethylhex-3-ene)
CID 162279391
lithium 4-methanidyl-4-methylpent-1-ene
CID 134840187
3,3,4,4,5,5,6,6,7,7,8,8,9,9-tetradecamethylundeca-1,10-diene
CID 162304109
3,3-dimethylbut-1-ene;bis(2-methylprop-1-ene)
CID 174260323
2,2-dimethylpropane;ethane;ethene
CID 143720811
ethene;tetrakis(prop-1-ene)
CID 158667737
lithium 2-methanidyl-2-methylpropane
CID 10898631
2-methanidyl-2-methylpropane;palladium
CID 163183764
manganese;2-methanidyl-2-methylpropane
CID 15914338
dilithium;2-methanidyl-2-methylpropane
CID 14120101
2,3,3-trimethylpent-4-en-2-ylsilane
CID 175326374

Frequently Asked Questions

What is the IUPAC name of 3-methanidyl-3-methylbut-1-ene?
The IUPAC name of 3-methanidyl-3-methylbut-1-ene (CID 91253785) is 3-methanidyl-3-methylbut-1-ene.
What is the SMILES notation for 3-methanidyl-3-methylbut-1-ene?
The canonical SMILES for 3-methanidyl-3-methylbut-1-ene is C=CC([CH2-])(C)C.
What is the InChIKey of 3-methanidyl-3-methylbut-1-ene?
The InChIKey is KNYHVXZGGWNCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11/c1-5-6(2,3)4/h5H,1-2H2,3-4H3/q-1.
What are the key properties of 3-methanidyl-3-methylbut-1-ene?
3-methanidyl-3-methylbut-1-ene has a molecular weight of 83.15 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methanidyl-3-methylbut-1-ene is sourced from PubChem (CID 91253785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).