2,2-dimethylpropanal;piperidine

C10H21NO — CID 174930616

IUPAC2,2-dimethylpropanal;piperidine
SMILESC1CCNCC1.CC(C)(C)C=O
InChIInChI=1S/C5H11N.C5H10O/c1-2-4-6-5-3-1;1-5(2,3)4-6/h6H,1-5H2;4H,1-3H3
InChIKeyYKZRVPBFAODYRK-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.99
Rot. Bonds

About 2,2-dimethylpropanal;piperidine

2,2-dimethylpropanal;piperidine (PubChem CID 174930616) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2,2-dimethylpropanal;piperidine.

Molecular Properties

Compound Name2,2-dimethylpropanal;piperidine
PubChem CID174930616
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2,2-dimethylpropanal;piperidine
SMILESC1CCNCC1.CC(C)(C)C=O
InChIInChI=1S/C5H11N.C5H10O/c1-2-4-6-5-3-1;1-5(2,3)4-6/h6H,1-5H2;4H,1-3H3
InChIKeyYKZRVPBFAODYRK-UHFFFAOYSA-N
XLogP1.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropanal;piperidine?
The IUPAC name of 2,2-dimethylpropanal;piperidine (CID 174930616) is 2,2-dimethylpropanal;piperidine.
What is the SMILES notation for 2,2-dimethylpropanal;piperidine?
The canonical SMILES for 2,2-dimethylpropanal;piperidine is C1CCNCC1.CC(C)(C)C=O.
What is the InChIKey of 2,2-dimethylpropanal;piperidine?
The InChIKey is YKZRVPBFAODYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.C5H10O/c1-2-4-6-5-3-1;1-5(2,3)4-6/h6H,1-5H2;4H,1-3H3.
What are the key properties of 2,2-dimethylpropanal;piperidine?
2,2-dimethylpropanal;piperidine has a molecular weight of 171.28 g/mol, XLogP of 1.99, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropanal;piperidine is sourced from PubChem (CID 174930616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).