ethane;3-methyl-4-propan-2-yloxane;3-propan-2-ylpiperidine;3-propan-2-ylpyrrolidine

C30H68N2O — CID 160735575

IUPACethane;3-methyl-4-propan-2-yloxane;3-propan-2-ylpiperidine;3-propan-2-ylpyrrolidine
SMILESCC.CC.CC.CC(C)C1CCCNC1.CC(C)C1CCNC1.CC(C)C1CCOCC1C
InChIInChI=1S/C9H18O.C8H17N.C7H15N.3C2H6/c1-7(2)9-4-5-10-6-8(9)3;1-7(2)8-4-3-5-9-6-8;1-6(2)7-3-4-8-5-7;3*1-2/h7-9H,4-6H2,1-3H3;7-9H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;3*1-2H3
InChIKeyRUXBZPIYEYFALR-UHFFFAOYSA-N
MW472.89 g/mol
LogP8.29
Rot. Bonds3

About ethane;3-methyl-4-propan-2-yloxane;3-propan-2-ylpiperidine;3-propan-2-ylpyrrolidine

ethane;3-methyl-4-propan-2-yloxane;3-propan-2-ylpiperidine;3-propan-2-ylpyrrolidine (PubChem CID 160735575) has the molecular formula C30H68N2O and a molecular weight of 472.89 g/mol. Its IUPAC name is ethane;3-methyl-4-propan-2-yloxane;3-propan-2-ylpiperidine;3-propan-2-ylpyrrolidine.

Molecular Properties

Compound Nameethane;3-methyl-4-propan-2-yloxane;3-propan-2-ylpiperidine;3-propan-2-ylpyrrolidine
PubChem CID160735575
Molecular FormulaC30H68N2O
Molecular Weight472.89 g/mol
Exact Mass472.53
IUPAC Nameethane;3-methyl-4-propan-2-yloxane;3-propan-2-ylpiperidine;3-propan-2-ylpyrrolidine
SMILESCC.CC.CC.CC(C)C1CCCNC1.CC(C)C1CCNC1.CC(C)C1CCOCC1C
InChIInChI=1S/C9H18O.C8H17N.C7H15N.3C2H6/c1-7(2)9-4-5-10-6-8(9)3;1-7(2)8-4-3-5-9-6-8;1-6(2)7-3-4-8-5-7;3*1-2/h7-9H,4-6H2,1-3H3;7-9H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;3*1-2H3
InChIKeyRUXBZPIYEYFALR-UHFFFAOYSA-N
XLogP8.29
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.89
LogP ≤ 58.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze ethane;3-methyl-4-propan-2-yloxane;3-propan-2-ylpiperidine;3-propan-2-ylpyrrolidine with MolForge

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Related Compounds

1-(Oxan-4-YL)-4-(pyrrolidin-3-YL)piperidine
CID 91921258
4-(Oxan-4-yl)piperidine
CID 17781710
1-(Oxan-4-yl)-4-pyrrolidin-2-ylpiperidine
CID 63256212
Ethylcyclohexane;4-ethyloxane;3-ethylpyrrolidine
CID 90988158
Ethane;4-(oxan-4-yl)piperidine
CID 142475221
3-Methyloxane;3-methyloxolane;3-methylpiperidine
CID 157646150
Ethane;4-propan-2-yloxane;1-propan-2-ylpiperidine;4-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 157844412
4,4-Di(propan-2-yl)oxane;4,4-di(propan-2-yl)piperidine
CID 158240210
3-Tert-butyl-1-methylpiperidine;4-tert-butyloxane;1,3-dimethylpyrrolidine;propane
CID 159012857
Ethane;oxane;piperidine;pyrrolidine
CID 159239478
4-Tert-butyloxane;4-tert-butylpiperidine
CID 161230933
(3R,4S)-3-methyl-4-propan-2-yloxane;4-propan-2-ylcyclohexan-1-amine;(3S)-3-propan-2-ylpyrrolidine
CID 161245782

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-4-propan-2-yloxane;3-propan-2-ylpiperidine;3-propan-2-ylpyrrolidine?
The IUPAC name of ethane;3-methyl-4-propan-2-yloxane;3-propan-2-ylpiperidine;3-propan-2-ylpyrrolidine (CID 160735575) is ethane;3-methyl-4-propan-2-yloxane;3-propan-2-ylpiperidine;3-propan-2-ylpyrrolidine.
What is the SMILES notation for ethane;3-methyl-4-propan-2-yloxane;3-propan-2-ylpiperidine;3-propan-2-ylpyrrolidine?
The canonical SMILES for ethane;3-methyl-4-propan-2-yloxane;3-propan-2-ylpiperidine;3-propan-2-ylpyrrolidine is CC.CC.CC.CC(C)C1CCCNC1.CC(C)C1CCNC1.CC(C)C1CCOCC1C.
What is the InChIKey of ethane;3-methyl-4-propan-2-yloxane;3-propan-2-ylpiperidine;3-propan-2-ylpyrrolidine?
The InChIKey is RUXBZPIYEYFALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O.C8H17N.C7H15N.3C2H6/c1-7(2)9-4-5-10-6-8(9)3;1-7(2)8-4-3-5-9-6-8;1-6(2)7-3-4-8-5-7;3*1-2/h7-9H,4-6H2,1-3H3;7-9H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;3*1-2H3.
What are the key properties of ethane;3-methyl-4-propan-2-yloxane;3-propan-2-ylpiperidine;3-propan-2-ylpyrrolidine?
ethane;3-methyl-4-propan-2-yloxane;3-propan-2-ylpiperidine;3-propan-2-ylpyrrolidine has a molecular weight of 472.89 g/mol, XLogP of 8.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-4-propan-2-yloxane;3-propan-2-ylpiperidine;3-propan-2-ylpyrrolidine is sourced from PubChem (CID 160735575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).