2-ethyl-2,4-dimethylpiperidine;7-propan-2-yl-2-oxa-5-azaspiro[3.5]nona-6,8-diene

C19H34N2O — CID 171833488

IUPAC2-ethyl-2,4-dimethylpiperidine;7-propan-2-yl-2-oxa-5-azaspiro[3.5]nona-6,8-diene
SMILESCC(C)C1=CNC2(C=C1)COC2.CCC1(C)CC(C)CCN1
InChIInChI=1S/C10H15NO.C9H19N/c1-8(2)9-3-4-10(11-5-9)6-12-7-10;1-4-9(3)7-8(2)5-6-10-9/h3-5,8,11H,6-7H2,1-2H3;8,10H,4-7H2,1-3H3
InChIKeyZEMUOKAVBCQGBO-UHFFFAOYSA-N
MW306.49 g/mol
LogP3.63
Rot. Bonds2

About 2-ethyl-2,4-dimethylpiperidine;7-propan-2-yl-2-oxa-5-azaspiro[3.5]nona-6,8-diene

2-ethyl-2,4-dimethylpiperidine;7-propan-2-yl-2-oxa-5-azaspiro[3.5]nona-6,8-diene (PubChem CID 171833488) has the molecular formula C19H34N2O and a molecular weight of 306.49 g/mol. Its IUPAC name is 2-ethyl-2,4-dimethylpiperidine;7-propan-2-yl-2-oxa-5-azaspiro[3.5]nona-6,8-diene.

Molecular Properties

Compound Name2-ethyl-2,4-dimethylpiperidine;7-propan-2-yl-2-oxa-5-azaspiro[3.5]nona-6,8-diene
PubChem CID171833488
Molecular FormulaC19H34N2O
Molecular Weight306.49 g/mol
Exact Mass306.27
IUPAC Name2-ethyl-2,4-dimethylpiperidine;7-propan-2-yl-2-oxa-5-azaspiro[3.5]nona-6,8-diene
SMILESCC(C)C1=CNC2(C=C1)COC2.CCC1(C)CC(C)CCN1
InChIInChI=1S/C10H15NO.C9H19N/c1-8(2)9-3-4-10(11-5-9)6-12-7-10;1-4-9(3)7-8(2)5-6-10-9/h3-5,8,11H,6-7H2,1-2H3;8,10H,4-7H2,1-3H3
InChIKeyZEMUOKAVBCQGBO-UHFFFAOYSA-N
XLogP3.63
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.49
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-2,4-dimethylpiperidine;7-propan-2-yl-2-oxa-5-azaspiro[3.5]nona-6,8-diene with MolForge

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Related Compounds

N-[[1-[3-[(2Z)-2-ethenylpenta-2,4-dienyl]oxetan-3-yl]piperidin-4-yl]methyl]ethanamine
CID 142459371
buta-1,3-diene;(E,7Z)-N-(3,4-dimethylpent-4-enyl)-N-(2-methoxyethyl)-5-methyl-7-(2-methylidenepiperidin-3-ylidene)hept-5-en-1-amine;ethane
CID 155709904
7-Propan-2-yl-2-oxa-5-azaspiro[3.5]nona-6,8-diene;7-propan-2-yl-2-oxa-5-azaspiro[3.5]nonane
CID 166552962
N-[1-[4-[1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-yl]cyclohexa-1,5-dien-1-yl]ethyl]-2-methylpropan-2-amine
CID 169574432

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,4-dimethylpiperidine;7-propan-2-yl-2-oxa-5-azaspiro[3.5]nona-6,8-diene?
The IUPAC name of 2-ethyl-2,4-dimethylpiperidine;7-propan-2-yl-2-oxa-5-azaspiro[3.5]nona-6,8-diene (CID 171833488) is 2-ethyl-2,4-dimethylpiperidine;7-propan-2-yl-2-oxa-5-azaspiro[3.5]nona-6,8-diene.
What is the SMILES notation for 2-ethyl-2,4-dimethylpiperidine;7-propan-2-yl-2-oxa-5-azaspiro[3.5]nona-6,8-diene?
The canonical SMILES for 2-ethyl-2,4-dimethylpiperidine;7-propan-2-yl-2-oxa-5-azaspiro[3.5]nona-6,8-diene is CC(C)C1=CNC2(C=C1)COC2.CCC1(C)CC(C)CCN1.
What is the InChIKey of 2-ethyl-2,4-dimethylpiperidine;7-propan-2-yl-2-oxa-5-azaspiro[3.5]nona-6,8-diene?
The InChIKey is ZEMUOKAVBCQGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.C9H19N/c1-8(2)9-3-4-10(11-5-9)6-12-7-10;1-4-9(3)7-8(2)5-6-10-9/h3-5,8,11H,6-7H2,1-2H3;8,10H,4-7H2,1-3H3.
What are the key properties of 2-ethyl-2,4-dimethylpiperidine;7-propan-2-yl-2-oxa-5-azaspiro[3.5]nona-6,8-diene?
2-ethyl-2,4-dimethylpiperidine;7-propan-2-yl-2-oxa-5-azaspiro[3.5]nona-6,8-diene has a molecular weight of 306.49 g/mol, XLogP of 3.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,4-dimethylpiperidine;7-propan-2-yl-2-oxa-5-azaspiro[3.5]nona-6,8-diene is sourced from PubChem (CID 171833488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).