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

C16H34N2O — CID 173136750

IUPAC2-(1-cyclooctylpyrrolidin-2-yl)acetamide;methane
SMILESC.C.NC(=O)CC1CCCN1C1CCCCCCC1
InChIInChI=1S/C14H26N2O.2CH4/c15-14(17)11-13-9-6-10-16(13)12-7-4-2-1-3-5-8-12;;/h12-13H,1-11H2,(H2,15,17);2*1H4
InChIKeyYMFHSSZAQQEHLP-UHFFFAOYSA-N
MW270.46 g/mol
LogP3.71
Rot. Bonds3

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

2-(1-cyclooctylpyrrolidin-2-yl)acetamide;methane (PubChem CID 173136750) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 2-(1-cyclooctylpyrrolidin-2-yl)acetamide;methane.

Molecular Properties

Compound Name2-(1-cyclooctylpyrrolidin-2-yl)acetamide;methane
PubChem CID173136750
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name2-(1-cyclooctylpyrrolidin-2-yl)acetamide;methane
SMILESC.C.NC(=O)CC1CCCN1C1CCCCCCC1
InChIInChI=1S/C14H26N2O.2CH4/c15-14(17)11-13-9-6-10-16(13)12-7-4-2-1-3-5-8-12;;/h12-13H,1-11H2,(H2,15,17);2*1H4
InChIKeyYMFHSSZAQQEHLP-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-cyclohexylpyrrolidin-2-yl)propan-2-one
CID 79546496
1-[[(2R)-1-cyclopentylpyrrolidin-2-yl]methyl]-1-methylurea
CID 59286134
(1-cycloheptylazepan-2-yl)methanamine
CID 116640538
2-(1-methylpyrrolidin-2-yl)acetamide;hydrochloride
CID 67492380
3-(1-cycloheptylpiperidin-2-yl)propanoic acid
CID 65062233
2-(1-cyclopentylpyrrolidin-2-yl)ethanamine
CID 73440122
2-(1-acetylpyrrolidin-2-yl)acetamide
CID 127011222
1-[1-(oxan-4-yl)azepan-2-yl]propan-2-one
CID 79560706
2-[1-(thian-4-yl)pyrrolidin-2-yl]acetic acid
CID 65068053
2-(1-cyclooctylpyrrolidin-3-yl)acetamide;methane
CID 173136437
2-(chloromethyl)-1-cycloheptylazepane
CID 116638619
[(5S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]methanol
CID 11344137

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclooctylpyrrolidin-2-yl)acetamide;methane?
The IUPAC name of 2-(1-cyclooctylpyrrolidin-2-yl)acetamide;methane (CID 173136750) is 2-(1-cyclooctylpyrrolidin-2-yl)acetamide;methane.
What is the SMILES notation for 2-(1-cyclooctylpyrrolidin-2-yl)acetamide;methane?
The canonical SMILES for 2-(1-cyclooctylpyrrolidin-2-yl)acetamide;methane is C.C.NC(=O)CC1CCCN1C1CCCCCCC1.
What is the InChIKey of 2-(1-cyclooctylpyrrolidin-2-yl)acetamide;methane?
The InChIKey is YMFHSSZAQQEHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O.2CH4/c15-14(17)11-13-9-6-10-16(13)12-7-4-2-1-3-5-8-12;;/h12-13H,1-11H2,(H2,15,17);2*1H4.
What are the key properties of 2-(1-cyclooctylpyrrolidin-2-yl)acetamide;methane?
2-(1-cyclooctylpyrrolidin-2-yl)acetamide;methane has a molecular weight of 270.46 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclooctylpyrrolidin-2-yl)acetamide;methane is sourced from PubChem (CID 173136750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).