2-(1-cyclooctylpyrrolidin-3-yl)acetamide;methane

C16H34N2O — CID 173136437

IUPAC2-(1-cyclooctylpyrrolidin-3-yl)acetamide;methane
SMILESC.C.NC(=O)CC1CCN(C2CCCCCCC2)C1
InChIInChI=1S/C14H26N2O.2CH4/c15-14(17)10-12-8-9-16(11-12)13-6-4-2-1-3-5-7-13;;/h12-13H,1-11H2,(H2,15,17);2*1H4
InChIKeyLJSKTSCVJJHYFR-UHFFFAOYSA-N
MW270.46 g/mol
LogP3.57
Rot. Bonds3

About 2-(1-cyclooctylpyrrolidin-3-yl)acetamide;methane

2-(1-cyclooctylpyrrolidin-3-yl)acetamide;methane (PubChem CID 173136437) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 2-(1-cyclooctylpyrrolidin-3-yl)acetamide;methane.

Molecular Properties

Compound Name2-(1-cyclooctylpyrrolidin-3-yl)acetamide;methane
PubChem CID173136437
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name2-(1-cyclooctylpyrrolidin-3-yl)acetamide;methane
SMILESC.C.NC(=O)CC1CCN(C2CCCCCCC2)C1
InChIInChI=1S/C14H26N2O.2CH4/c15-14(17)10-12-8-9-16(11-12)13-6-4-2-1-3-5-7-13;;/h12-13H,1-11H2,(H2,15,17);2*1H4
InChIKeyLJSKTSCVJJHYFR-UHFFFAOYSA-N
XLogP3.57
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-cyclopropylpiperidin-3-yl)acetamide
CID 175926239
2-(1-cyclopentylpyrrolidin-3-yl)ethanimidamide
CID 131223529
2-(1-cycloheptylpiperidin-3-yl)acetic acid
CID 65060458
1-cyclohexylpyrrolidine-3-carboxamide;hydrochloride
CID 67294203
2-cyclodecylacetamide
CID 150110792
2-[1-(3-aminocyclopentyl)piperidin-4-yl]acetamide
CID 79467811
2-(1-cyclooctylpyrrolidin-2-yl)acetamide;methane
CID 173136750
(3R)-1-cyclopentylpyrrolidin-3-amine;hydrochloride
CID 90422333
bis(1-cyclopentylpyrrolidin-3-amine);dihydrochloride
CID 173089103
1-cyclohexyl-3-(isocyanomethyl)pyrrolidine
CID 84772501
2-[(1-cycloheptylpiperidin-3-yl)methylamino]acetic acid
CID 106814208
2-[1-(2-cyanocyclohexyl)piperidin-4-yl]acetamide
CID 54989367

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclooctylpyrrolidin-3-yl)acetamide;methane?
The IUPAC name of 2-(1-cyclooctylpyrrolidin-3-yl)acetamide;methane (CID 173136437) is 2-(1-cyclooctylpyrrolidin-3-yl)acetamide;methane.
What is the SMILES notation for 2-(1-cyclooctylpyrrolidin-3-yl)acetamide;methane?
The canonical SMILES for 2-(1-cyclooctylpyrrolidin-3-yl)acetamide;methane is C.C.NC(=O)CC1CCN(C2CCCCCCC2)C1.
What is the InChIKey of 2-(1-cyclooctylpyrrolidin-3-yl)acetamide;methane?
The InChIKey is LJSKTSCVJJHYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O.2CH4/c15-14(17)10-12-8-9-16(11-12)13-6-4-2-1-3-5-7-13;;/h12-13H,1-11H2,(H2,15,17);2*1H4.
What are the key properties of 2-(1-cyclooctylpyrrolidin-3-yl)acetamide;methane?
2-(1-cyclooctylpyrrolidin-3-yl)acetamide;methane has a molecular weight of 270.46 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclooctylpyrrolidin-3-yl)acetamide;methane is sourced from PubChem (CID 173136437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).