2-(aminomethyl)-3-cyclooctyl-1-pyrrolidin-1-ylpropan-1-one

C16H30N2O — CID 114207905

IUPAC2-(aminomethyl)-3-cyclooctyl-1-pyrrolidin-1-ylpropan-1-one
SMILESNCC(CC1CCCCCCC1)C(=O)N1CCCC1
InChIInChI=1S/C16H30N2O/c17-13-15(16(19)18-10-6-7-11-18)12-14-8-4-2-1-3-5-9-14/h14-15H,1-13,17H2
InChIKeyUBZWBKXBMGSUSO-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.93
Rot. Bonds4

About 2-(aminomethyl)-3-cyclooctyl-1-pyrrolidin-1-ylpropan-1-one

2-(aminomethyl)-3-cyclooctyl-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 114207905) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-(aminomethyl)-3-cyclooctyl-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-3-cyclooctyl-1-pyrrolidin-1-ylpropan-1-one
PubChem CID114207905
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name2-(aminomethyl)-3-cyclooctyl-1-pyrrolidin-1-ylpropan-1-one
SMILESNCC(CC1CCCCCCC1)C(=O)N1CCCC1
InChIInChI=1S/C16H30N2O/c17-13-15(16(19)18-10-6-7-11-18)12-14-8-4-2-1-3-5-9-14/h14-15H,1-13,17H2
InChIKeyUBZWBKXBMGSUSO-UHFFFAOYSA-N
XLogP2.93
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Dodecylpyrrolidin-2-one
CID 21881336
(3S)-N-[3-[4-(dimethylamino)butyl-methylamino]propyl]-3-methyldodecanamide
CID 97046606
Cyclooctyl(pyrrolidin-1-yl)methanone
CID 65022857
N-[3-[4-(dimethylamino)butyl-methylamino]propyl]-3-methyldodecanamide
CID 328261
N-(3-oxo-3-pyrrolidin-1-ylpropyl)cyclohexanecarboxamide
CID 39948454
2-cyclopentyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
CID 45794980
3-Cyclopentyl-N-(3-(1-pyrrolidinyl)propyl)propanamide
CID 10198920
1,4-Bis(3-aminopropyl)pyrrolidin-2-one
CID 18411132
3-(3-aminopropyl)-N,N-diethyldodecanamide
CID 20376815
N-(3-pyrrolidin-1-ylpropyl)cyclohexanecarboxamide
CID 53675918
N-(cyclooctylmethyl)pyrrolidine-3-carboxamide
CID 53732378
[(1R,2R)-2-aminocyclooctyl]-pyrrolidin-1-ylmethanone
CID 53799510

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-cyclooctyl-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-(aminomethyl)-3-cyclooctyl-1-pyrrolidin-1-ylpropan-1-one (CID 114207905) is 2-(aminomethyl)-3-cyclooctyl-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(aminomethyl)-3-cyclooctyl-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-(aminomethyl)-3-cyclooctyl-1-pyrrolidin-1-ylpropan-1-one is NCC(CC1CCCCCCC1)C(=O)N1CCCC1.
What is the InChIKey of 2-(aminomethyl)-3-cyclooctyl-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is UBZWBKXBMGSUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c17-13-15(16(19)18-10-6-7-11-18)12-14-8-4-2-1-3-5-9-14/h14-15H,1-13,17H2.
What are the key properties of 2-(aminomethyl)-3-cyclooctyl-1-pyrrolidin-1-ylpropan-1-one?
2-(aminomethyl)-3-cyclooctyl-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 266.43 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-cyclooctyl-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 114207905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).