2-cyclohexylidene-2-(propan-2-ylamino)acetonitrile

C11H18N2 — CID 12555766

IUPAC2-cyclohexylidene-2-(propan-2-ylamino)acetonitrile
SMILESCC(C)NC(C#N)=C1CCCCC1
InChIInChI=1S/C11H18N2/c1-9(2)13-11(8-12)10-6-4-3-5-7-10/h9,13H,3-7H2,1-2H3
InChIKeyMJTQRHRFYCTFEU-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.73
Rot. Bonds2

About 2-cyclohexylidene-2-(propan-2-ylamino)acetonitrile

2-cyclohexylidene-2-(propan-2-ylamino)acetonitrile (PubChem CID 12555766) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 2-cyclohexylidene-2-(propan-2-ylamino)acetonitrile.

Molecular Properties

Compound Name2-cyclohexylidene-2-(propan-2-ylamino)acetonitrile
PubChem CID12555766
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name2-cyclohexylidene-2-(propan-2-ylamino)acetonitrile
SMILESCC(C)NC(C#N)=C1CCCCC1
InChIInChI=1S/C11H18N2/c1-9(2)13-11(8-12)10-6-4-3-5-7-10/h9,13H,3-7H2,1-2H3
InChIKeyMJTQRHRFYCTFEU-UHFFFAOYSA-N
XLogP2.73
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylidene-2-(propan-2-ylamino)acetonitrile?
The IUPAC name of 2-cyclohexylidene-2-(propan-2-ylamino)acetonitrile (CID 12555766) is 2-cyclohexylidene-2-(propan-2-ylamino)acetonitrile.
What is the SMILES notation for 2-cyclohexylidene-2-(propan-2-ylamino)acetonitrile?
The canonical SMILES for 2-cyclohexylidene-2-(propan-2-ylamino)acetonitrile is CC(C)NC(C#N)=C1CCCCC1.
What is the InChIKey of 2-cyclohexylidene-2-(propan-2-ylamino)acetonitrile?
The InChIKey is MJTQRHRFYCTFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-9(2)13-11(8-12)10-6-4-3-5-7-10/h9,13H,3-7H2,1-2H3.
What are the key properties of 2-cyclohexylidene-2-(propan-2-ylamino)acetonitrile?
2-cyclohexylidene-2-(propan-2-ylamino)acetonitrile has a molecular weight of 178.28 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylidene-2-(propan-2-ylamino)acetonitrile is sourced from PubChem (CID 12555766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).