2,2-dimethylpropanal;ethane;1-propan-2-ylpiperidine

C15H33NO — CID 177325455

IUPAC2,2-dimethylpropanal;ethane;1-propan-2-ylpiperidine
SMILESCC.CC(C)(C)C=O.CC(C)N1CCCCC1
InChIInChI=1S/C8H17N.C5H10O.C2H6/c1-8(2)9-6-4-3-5-7-9;1-5(2,3)4-6;1-2/h8H,3-7H2,1-2H3;4H,1-3H3;1-2H3
InChIKeyFFRVLMWRANFLCY-UHFFFAOYSA-N
MW243.43 g/mol
LogP4.14
Rot. Bonds1

About 2,2-dimethylpropanal;ethane;1-propan-2-ylpiperidine

2,2-dimethylpropanal;ethane;1-propan-2-ylpiperidine (PubChem CID 177325455) has the molecular formula C15H33NO and a molecular weight of 243.43 g/mol. Its IUPAC name is 2,2-dimethylpropanal;ethane;1-propan-2-ylpiperidine.

Molecular Properties

Compound Name2,2-dimethylpropanal;ethane;1-propan-2-ylpiperidine
PubChem CID177325455
Molecular FormulaC15H33NO
Molecular Weight243.43 g/mol
Exact Mass243.26
IUPAC Name2,2-dimethylpropanal;ethane;1-propan-2-ylpiperidine
SMILESCC.CC(C)(C)C=O.CC(C)N1CCCCC1
InChIInChI=1S/C8H17N.C5H10O.C2H6/c1-8(2)9-6-4-3-5-7-9;1-5(2,3)4-6;1-2/h8H,3-7H2,1-2H3;4H,1-3H3;1-2H3
InChIKeyFFRVLMWRANFLCY-UHFFFAOYSA-N
XLogP4.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.43
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 177140338
ethane;1-propan-2-ylpyrrolidine
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formic acid;1-propan-2-ylpyrrolidine
CID 162750581
ethane;methane;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 167622043
N,N-dimethylformamide;ethane;1-propan-2-ylpyrrolidine
CID 162750414
1-propan-2-ylpiperidine;hydrobromide
CID 44887258
ethene;1-propan-2-ylpiperidine
CID 177325228
ethane;1-methylazepane;1-propan-2-ylpiperidine
CID 170601993
propan-2-amine;1-propan-2-ylpiperidine
CID 142245197
methoxymethane;1-propan-2-ylpiperidine
CID 153352735
methoxymethane;1-propan-2-ylazepane
CID 178173420
1,4-dimethylpiperazine;2-methylpropanal;1-propan-2-ylpyrrolidine
CID 166458931

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropanal;ethane;1-propan-2-ylpiperidine?
The IUPAC name of 2,2-dimethylpropanal;ethane;1-propan-2-ylpiperidine (CID 177325455) is 2,2-dimethylpropanal;ethane;1-propan-2-ylpiperidine.
What is the SMILES notation for 2,2-dimethylpropanal;ethane;1-propan-2-ylpiperidine?
The canonical SMILES for 2,2-dimethylpropanal;ethane;1-propan-2-ylpiperidine is CC.CC(C)(C)C=O.CC(C)N1CCCCC1.
What is the InChIKey of 2,2-dimethylpropanal;ethane;1-propan-2-ylpiperidine?
The InChIKey is FFRVLMWRANFLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C5H10O.C2H6/c1-8(2)9-6-4-3-5-7-9;1-5(2,3)4-6;1-2/h8H,3-7H2,1-2H3;4H,1-3H3;1-2H3.
What are the key properties of 2,2-dimethylpropanal;ethane;1-propan-2-ylpiperidine?
2,2-dimethylpropanal;ethane;1-propan-2-ylpiperidine has a molecular weight of 243.43 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropanal;ethane;1-propan-2-ylpiperidine is sourced from PubChem (CID 177325455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).