bis(3-methylbut-2-enyl)cyanamide

C11H18N2 — CID 14395438

IUPACbis(3-methylbut-2-enyl)cyanamide
SMILESCC(C)=CCN(C#N)CC=C(C)C
InChIInChI=1S/C11H18N2/c1-10(2)5-7-13(9-12)8-6-11(3)4/h5-6H,7-8H2,1-4H3
InChIKeyHPQXODZWHMLNIM-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.70
Rot. Bonds4

About bis(3-methylbut-2-enyl)cyanamide

bis(3-methylbut-2-enyl)cyanamide (PubChem CID 14395438) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is bis(3-methylbut-2-enyl)cyanamide.

Molecular Properties

Compound Namebis(3-methylbut-2-enyl)cyanamide
PubChem CID14395438
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Namebis(3-methylbut-2-enyl)cyanamide
SMILESCC(C)=CCN(C#N)CC=C(C)C
InChIInChI=1S/C11H18N2/c1-10(2)5-7-13(9-12)8-6-11(3)4/h5-6H,7-8H2,1-4H3
InChIKeyHPQXODZWHMLNIM-UHFFFAOYSA-N
XLogP2.70
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(3-methylbut-2-enyl)cyanamide?
The IUPAC name of bis(3-methylbut-2-enyl)cyanamide (CID 14395438) is bis(3-methylbut-2-enyl)cyanamide.
What is the SMILES notation for bis(3-methylbut-2-enyl)cyanamide?
The canonical SMILES for bis(3-methylbut-2-enyl)cyanamide is CC(C)=CCN(C#N)CC=C(C)C.
What is the InChIKey of bis(3-methylbut-2-enyl)cyanamide?
The InChIKey is HPQXODZWHMLNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-10(2)5-7-13(9-12)8-6-11(3)4/h5-6H,7-8H2,1-4H3.
What are the key properties of bis(3-methylbut-2-enyl)cyanamide?
bis(3-methylbut-2-enyl)cyanamide has a molecular weight of 178.28 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-methylbut-2-enyl)cyanamide is sourced from PubChem (CID 14395438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).