azane;bis(2-methylpropanenitrile);prop-1-ene

C11H26N4 — CID 173455148

IUPACazane;bis(2-methylpropanenitrile);prop-1-ene
SMILESC=CC.CC(C)C#N.CC(C)C#N.N.N
InChIInChI=1S/2C4H7N.C3H6.2H3N/c2*1-4(2)3-5;1-3-2;;/h2*4H,1-2H3;3H,1H2,2H3;2*1H3
InChIKeyBMKMFFLUFJDSMO-UHFFFAOYSA-N
MW214.36 g/mol
LogP3.85
Rot. Bonds

About azane;bis(2-methylpropanenitrile);prop-1-ene

azane;bis(2-methylpropanenitrile);prop-1-ene (PubChem CID 173455148) has the molecular formula C11H26N4 and a molecular weight of 214.36 g/mol. Its IUPAC name is azane;bis(2-methylpropanenitrile);prop-1-ene.

Molecular Properties

Compound Nameazane;bis(2-methylpropanenitrile);prop-1-ene
PubChem CID173455148
Molecular FormulaC11H26N4
Molecular Weight214.36 g/mol
Exact Mass214.22
IUPAC Nameazane;bis(2-methylpropanenitrile);prop-1-ene
SMILESC=CC.CC(C)C#N.CC(C)C#N.N.N
InChIInChI=1S/2C4H7N.C3H6.2H3N/c2*1-4(2)3-5;1-3-2;;/h2*4H,1-2H3;3H,1H2,2H3;2*1H3
InChIKeyBMKMFFLUFJDSMO-UHFFFAOYSA-N
XLogP3.85
TPSA117.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.36
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azane;bis(2-methylpropanenitrile);prop-1-ene?
The IUPAC name of azane;bis(2-methylpropanenitrile);prop-1-ene (CID 173455148) is azane;bis(2-methylpropanenitrile);prop-1-ene.
What is the SMILES notation for azane;bis(2-methylpropanenitrile);prop-1-ene?
The canonical SMILES for azane;bis(2-methylpropanenitrile);prop-1-ene is C=CC.CC(C)C#N.CC(C)C#N.N.N.
What is the InChIKey of azane;bis(2-methylpropanenitrile);prop-1-ene?
The InChIKey is BMKMFFLUFJDSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H7N.C3H6.2H3N/c2*1-4(2)3-5;1-3-2;;/h2*4H,1-2H3;3H,1H2,2H3;2*1H3.
What are the key properties of azane;bis(2-methylpropanenitrile);prop-1-ene?
azane;bis(2-methylpropanenitrile);prop-1-ene has a molecular weight of 214.36 g/mol, XLogP of 3.85, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;bis(2-methylpropanenitrile);prop-1-ene is sourced from PubChem (CID 173455148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).