3-ethyl-4-isocyano-1,3-dimethylpiperidine

C10H18N2 — CID 18685099

IUPAC3-ethyl-4-isocyano-1,3-dimethylpiperidine
SMILES[C-]#[N+]C1CCN(C)CC1(C)CC
InChIInChI=1S/C10H18N2/c1-5-10(2)8-12(4)7-6-9(10)11-3/h9H,5-8H2,1-2,4H3
InChIKeyLPGLKTOSEFJPEA-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.03
Rot. Bonds1

About 3-ethyl-4-isocyano-1,3-dimethylpiperidine

3-ethyl-4-isocyano-1,3-dimethylpiperidine (PubChem CID 18685099) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 3-ethyl-4-isocyano-1,3-dimethylpiperidine.

Molecular Properties

Compound Name3-ethyl-4-isocyano-1,3-dimethylpiperidine
PubChem CID18685099
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name3-ethyl-4-isocyano-1,3-dimethylpiperidine
SMILES[C-]#[N+]C1CCN(C)CC1(C)CC
InChIInChI=1S/C10H18N2/c1-5-10(2)8-12(4)7-6-9(10)11-3/h9H,5-8H2,1-2,4H3
InChIKeyLPGLKTOSEFJPEA-UHFFFAOYSA-N
XLogP2.03
TPSA7.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-isocyano-1,3-dimethylpiperidine?
The IUPAC name of 3-ethyl-4-isocyano-1,3-dimethylpiperidine (CID 18685099) is 3-ethyl-4-isocyano-1,3-dimethylpiperidine.
What is the SMILES notation for 3-ethyl-4-isocyano-1,3-dimethylpiperidine?
The canonical SMILES for 3-ethyl-4-isocyano-1,3-dimethylpiperidine is [C-]#[N+]C1CCN(C)CC1(C)CC.
What is the InChIKey of 3-ethyl-4-isocyano-1,3-dimethylpiperidine?
The InChIKey is LPGLKTOSEFJPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-5-10(2)8-12(4)7-6-9(10)11-3/h9H,5-8H2,1-2,4H3.
What are the key properties of 3-ethyl-4-isocyano-1,3-dimethylpiperidine?
3-ethyl-4-isocyano-1,3-dimethylpiperidine has a molecular weight of 166.27 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-isocyano-1,3-dimethylpiperidine is sourced from PubChem (CID 18685099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).