methane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-2-one

C24H53N3O — CID 161431067

IUPACmethane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-2-one
SMILESC.C.CC(C)N1CCCC1.CC(C)N1CCCC1=O.CC(C)N1CCCCC1
InChIInChI=1S/C8H17N.C7H13NO.C7H15N.2CH4/c1-8(2)9-6-4-3-5-7-9;1-6(2)8-5-3-4-7(8)9;1-7(2)8-5-3-4-6-8;;/h8H,3-7H2,1-2H3;6H,3-5H2,1-2H3;7H,3-6H2,1-2H3;2*1H4
InChIKeyVYABSSJNRLMSLK-UHFFFAOYSA-N
MW399.71 g/mol
LogP5.66
Rot. Bonds3

About methane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-2-one

methane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-2-one (PubChem CID 161431067) has the molecular formula C24H53N3O and a molecular weight of 399.71 g/mol. Its IUPAC name is methane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Namemethane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-2-one
PubChem CID161431067
Molecular FormulaC24H53N3O
Molecular Weight399.71 g/mol
Exact Mass399.42
IUPAC Namemethane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-2-one
SMILESC.C.CC(C)N1CCCC1.CC(C)N1CCCC1=O.CC(C)N1CCCCC1
InChIInChI=1S/C8H17N.C7H13NO.C7H15N.2CH4/c1-8(2)9-6-4-3-5-7-9;1-6(2)8-5-3-4-7(8)9;1-7(2)8-5-3-4-6-8;;/h8H,3-7H2,1-2H3;6H,3-5H2,1-2H3;7H,3-6H2,1-2H3;2*1H4
InChIKeyVYABSSJNRLMSLK-UHFFFAOYSA-N
XLogP5.66
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.71
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of methane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-2-one (CID 161431067) is methane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for methane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for methane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-2-one is C.C.CC(C)N1CCCC1.CC(C)N1CCCC1=O.CC(C)N1CCCCC1.
What is the InChIKey of methane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-2-one?
The InChIKey is VYABSSJNRLMSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C7H13NO.C7H15N.2CH4/c1-8(2)9-6-4-3-5-7-9;1-6(2)8-5-3-4-7(8)9;1-7(2)8-5-3-4-6-8;;/h8H,3-7H2,1-2H3;6H,3-5H2,1-2H3;7H,3-6H2,1-2H3;2*1H4.
What are the key properties of methane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-2-one?
methane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-2-one has a molecular weight of 399.71 g/mol, XLogP of 5.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 161431067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).