3-imino-4,4-dimethyl-2-propan-2-ylidenepentanenitrile

C10H16N2 — CID 143962826

IUPAC3-imino-4,4-dimethyl-2-propan-2-ylidenepentanenitrile
SMILES[H]/N=C(\C(C#N)=C(C)C)C(C)(C)C
InChIInChI=1S/C10H16N2/c1-7(2)8(6-11)9(12)10(3,4)5/h12H,1-5H3/b12-9+
InChIKeyXVGDNWBPPFRKCK-FMIVXFBMSA-N
MW164.25 g/mol
LogP2.91
Rot. Bonds1

About 3-imino-4,4-dimethyl-2-propan-2-ylidenepentanenitrile

3-imino-4,4-dimethyl-2-propan-2-ylidenepentanenitrile (PubChem CID 143962826) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 3-imino-4,4-dimethyl-2-propan-2-ylidenepentanenitrile.

Molecular Properties

Compound Name3-imino-4,4-dimethyl-2-propan-2-ylidenepentanenitrile
PubChem CID143962826
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name3-imino-4,4-dimethyl-2-propan-2-ylidenepentanenitrile
SMILES[H]/N=C(\C(C#N)=C(C)C)C(C)(C)C
InChIInChI=1S/C10H16N2/c1-7(2)8(6-11)9(12)10(3,4)5/h12H,1-5H3/b12-9+
InChIKeyXVGDNWBPPFRKCK-FMIVXFBMSA-N
XLogP2.91
TPSA47.64 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-imino-4,4-dimethyl-2-propan-2-ylidenepentanenitrile?
The IUPAC name of 3-imino-4,4-dimethyl-2-propan-2-ylidenepentanenitrile (CID 143962826) is 3-imino-4,4-dimethyl-2-propan-2-ylidenepentanenitrile.
What is the SMILES notation for 3-imino-4,4-dimethyl-2-propan-2-ylidenepentanenitrile?
The canonical SMILES for 3-imino-4,4-dimethyl-2-propan-2-ylidenepentanenitrile is [H]/N=C(\C(C#N)=C(C)C)C(C)(C)C.
What is the InChIKey of 3-imino-4,4-dimethyl-2-propan-2-ylidenepentanenitrile?
The InChIKey is XVGDNWBPPFRKCK-FMIVXFBMSA-N. The full InChI is InChI=1S/C10H16N2/c1-7(2)8(6-11)9(12)10(3,4)5/h12H,1-5H3/b12-9+.
What are the key properties of 3-imino-4,4-dimethyl-2-propan-2-ylidenepentanenitrile?
3-imino-4,4-dimethyl-2-propan-2-ylidenepentanenitrile has a molecular weight of 164.25 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-4,4-dimethyl-2-propan-2-ylidenepentanenitrile is sourced from PubChem (CID 143962826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).